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PF04677490

CAT: 0013-GTR19199807-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199807-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PF04677490
CAS Number
1628342-10-8
Smiles
O (C) C=1C2=C (C (NC (CC3=NNC (C) =C3) C) =NC=N2) C=CC1OC
Molecular Formula
C17H21N5O2
Molecular Weight
327.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

7,8-dimethoxy-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]quinazolin-4-amine
CAS Number1628342-10-8
PubChem CID44180409
IUPAC Name7,8-dimethoxy-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]quinazolin-4-amine
Molecular FormulaC17H21N5O2
Molecular Weight327.4
XLogP2.9
Topological Polar Surface Area85
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity399
SMILES
CC1=CC(=NN1)CC(C)NC2=NC=NC3=C2C=CC(=C3OC)OC
InChI
InChI=1S/C17H21N5O2/c1-10(7-12-8-11(2)21-22-12)20-17-13-5-6-14(23-3)16(24-4)15(13)18-9-19-17/h5-6,8-10H,7H2,1-4H3,(H,21,22)(H,18,19,20)
InChIKey
JTROLECZHRVLFM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7,8-dimethoxy-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]quinazolin-4-amine
CAS: 1628342-10-8
CID: 44180409
Formula: C17H21N5O2
MW: 327.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.4
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass327.16952493
Monoisotopic Mass327.16952493
Topological Polar Surface Area85 Ų
Heavy Atom Count24
Formal Charge0
Complexity399
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
MBS5774363PF04677490

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