3-[(2,4-diamino-5,7-dimethylpyrido[2,3-d]pyrimidin-6-yl)methyl]benzamide

C17H18N6O — CID 44531534

IUPAC3-[(2,4-diamino-5,7-dimethylpyrido[2,3-d]pyrimidin-6-yl)methyl]benzamide
SMILESCc1nc2nc(N)nc(N)c2c(C)c1Cc1cccc(C(N)=O)c1
InChIInChI=1S/C17H18N6O/c1-8-12(7-10-4-3-5-11(6-10)15(19)24)9(2)21-16-13(8)14(18)22-17(20)23-16/h3-6H,7H2,1-2H3,(H2,19,24)(H4,18,20,21,22,23)
InChIKeyCSDVGZVGLPQZJJ-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.50
Rot. Bonds3

About 3-[(2,4-diamino-5,7-dimethylpyrido[2,3-d]pyrimidin-6-yl)methyl]benzamide

3-[(2,4-diamino-5,7-dimethylpyrido[2,3-d]pyrimidin-6-yl)methyl]benzamide (PubChem CID 44531534) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-[(2,4-diamino-5,7-dimethylpyrido[2,3-d]pyrimidin-6-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(2,4-diamino-5,7-dimethylpyrido[2,3-d]pyrimidin-6-yl)methyl]benzamide
PubChem CID44531534
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name3-[(2,4-diamino-5,7-dimethylpyrido[2,3-d]pyrimidin-6-yl)methyl]benzamide
SMILESCc1nc2nc(N)nc(N)c2c(C)c1Cc1cccc(C(N)=O)c1
InChIInChI=1S/C17H18N6O/c1-8-12(7-10-4-3-5-11(6-10)15(19)24)9(2)21-16-13(8)14(18)22-17(20)23-16/h3-6H,7H2,1-2H3,(H2,19,24)(H4,18,20,21,22,23)
InChIKeyCSDVGZVGLPQZJJ-UHFFFAOYSA-N
XLogP1.50
TPSA133.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 44531577
6-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
CID 44531543
3-benzylbenzamide;hydrochloride
CID 159409318
3-(sulfanylmethyl)benzamide
CID 118350806
(2S)-2-[[4-[(2,4-diamino-5,7-dimethylpyrido[2,3-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
CID 14077673
3-[[2-(aminomethyl)-4-methylphenyl]methyl]benzamide
CID 129059199
3-(2-methylpropyl)benzamide
CID 23130390
3-[(2,3,5,6-tetramethylphenyl)methyl]benzoic acid
CID 116927130
3-ethyl-5-[(3-methylphenyl)methyl]benzamide
CID 175279696
3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide
CID 118559286
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367
3-[(dipropylamino)methyl]benzamide
CID 82041313

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-diamino-5,7-dimethylpyrido[2,3-d]pyrimidin-6-yl)methyl]benzamide?
The IUPAC name of 3-[(2,4-diamino-5,7-dimethylpyrido[2,3-d]pyrimidin-6-yl)methyl]benzamide (CID 44531534) is 3-[(2,4-diamino-5,7-dimethylpyrido[2,3-d]pyrimidin-6-yl)methyl]benzamide.
What is the SMILES notation for 3-[(2,4-diamino-5,7-dimethylpyrido[2,3-d]pyrimidin-6-yl)methyl]benzamide?
The canonical SMILES for 3-[(2,4-diamino-5,7-dimethylpyrido[2,3-d]pyrimidin-6-yl)methyl]benzamide is Cc1nc2nc(N)nc(N)c2c(C)c1Cc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[(2,4-diamino-5,7-dimethylpyrido[2,3-d]pyrimidin-6-yl)methyl]benzamide?
The InChIKey is CSDVGZVGLPQZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-8-12(7-10-4-3-5-11(6-10)15(19)24)9(2)21-16-13(8)14(18)22-17(20)23-16/h3-6H,7H2,1-2H3,(H2,19,24)(H4,18,20,21,22,23).
What are the key properties of 3-[(2,4-diamino-5,7-dimethylpyrido[2,3-d]pyrimidin-6-yl)methyl]benzamide?
3-[(2,4-diamino-5,7-dimethylpyrido[2,3-d]pyrimidin-6-yl)methyl]benzamide has a molecular weight of 322.37 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-diamino-5,7-dimethylpyrido[2,3-d]pyrimidin-6-yl)methyl]benzamide is sourced from PubChem (CID 44531534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).