Products for Research Use Only
RegisterLogin

UNC2881

CAT: 0127-BUP13377-04Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-BUP13377-04Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1493764-08-1
Purity
=98%
Smiles
CCCCNc1ncc(C(=O)NCc2ccc(cc2)-n2ccnc2)c(NC2CCC(O)CC2)n1

Chemical Information

2-(Butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-[[4-(1H-imidazol-1-yl)phenyl]methyl]-5-pyrimidinecarboxamide
CAS Number1493764-08-1
PubChem CID71721525
IUPAC Name2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]-N-[(4-imidazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide
Molecular FormulaC25H33N7O2
Molecular Weight463.6
XLogP3.8
Topological Polar Surface Area117
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count34
Formal Charge0
Complexity608
SMILES
CCCCNC1=NC=C(C(=N1)NC2CCC(CC2)O)C(=O)NCC3=CC=C(C=C3)N4C=CN=C4
InChI
InChI=1S/C25H33N7O2/c1-2-3-12-27-25-29-16-22(23(31-25)30-19-6-10-21(33)11-7-19)24(34)28-15-18-4-8-20(9-5-18)32-14-13-26-17-32/h4-5,8-9,13-14,16-17,19,21,33H,2-3,6-7,10-12,15H2,1H3,(H,28,34)(H2,27,29,30,31)
InChIKey
NPVXOWLPOFYACO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-[[4-(1H-imidazol-1-yl)phenyl]methyl]-5-pyrimidinecarboxamide
CAS: 1493764-08-1
CID: 71721525
Formula: C25H33N7O2
MW: 463.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight463.6
XLogP33.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass463.26957332
Monoisotopic Mass463.26957332
Topological Polar Surface Area117 Ų
Heavy Atom Count34
Formal Charge0
Complexity608
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
BUP09843-01UNC2541

Alternative Products

CatalogName
B4357-10UNC2881
A14276-200UNC2881 200mg
A14276-100UNC2881 100mg
A14276-50UNC2881 50mg
A14276-25UNC2881 25mg

Popular Products