Products for Research Use Only
RegisterLogin

YKL-06-062

CAT: 0607-BA6250-100Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-BA6250-100Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2172617-16-0
Form
A solid
Molecular Formula
C31H39N7O
Molecular Weight
525.69
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

1-Cyclohexyl-3-(2,6-dimethylphenyl)-7-((4-(4-methylpiperazin-1-yl)phenyl)amino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
CAS Number2172617-16-0
PubChem CID139600310
IUPAC Name1-cyclohexyl-3-(2,6-dimethylphenyl)-7-[4-(4-methylpiperazin-1-yl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one
Molecular FormulaC31H39N7O
Molecular Weight525.7
XLogP5.4
Topological Polar Surface Area67.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count39
Formal Charge0
Complexity795
SMILES
CC1=C(C(=CC=C1)C)N2CC3=CN=C(N=C3N(C2=O)C4CCCCC4)NC5=CC=C(C=C5)N6CCN(CC6)C
InChI
InChI=1S/C31H39N7O/c1-22-8-7-9-23(2)28(22)37-21-24-20-32-30(34-29(24)38(31(37)39)27-10-5-4-6-11-27)33-25-12-14-26(15-13-25)36-18-16-35(3)17-19-36/h7-9,12-15,20,27H,4-6,10-11,16-19,21H2,1-3H3,(H,32,33,34)
InChIKey
GFXPGVPPWWPDPV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Cyclohexyl-3-(2,6-dimethylphenyl)-7-((4-(4-methylpiperazin-1-yl)phenyl)amino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
CAS: 2172617-16-0
CID: 139600310
Formula: C31H39N7O
MW: 525.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight525.7
XLogP35.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass525.32160889
Monoisotopic Mass525.32160889
Topological Polar Surface Area67.8 Ų
Heavy Atom Count39
Formal Charge0
Complexity795
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
BA6252-5.1YKL-06-061
BA6252-10YKL-06-061
BA6252-100YKL-06-061
BA6252-50YKL-06-061
BA6252-5YKL-06-061
BA6249-5YKL-05-099
BA3764-5YKL-5-124
BA3764-25YKL-5-124
BA3764-10YKL-5-124
BA6249-25YKL-05-099

Alternative Products

CatalogName
T17272-01YKL-06-062
MBS3603473-01YKL 06-061
BUP09071-01YKL-06-061
A18836-50YKL-06-061 50mg
A18836-1YKL-06-061 1mg
A18836-500YKL-06-061 500mg
A18836-100YKL-06-061 100mg
A18836-25YKL-06-061 25mg

Popular Products