9-methyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]purin-2-amine

C15H18N8 — CID 162629517

IUPAC9-methyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]purin-2-amine
SMILESCN1CCc2nc(CNc3ncc4ncn(C)c4n3)ncc2C1
InChIInChI=1S/C15H18N8/c1-22-4-3-11-10(8-22)5-16-13(20-11)7-18-15-17-6-12-14(21-15)23(2)9-19-12/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18,21)
InChIKeyQAKZBLHSYJNGGD-UHFFFAOYSA-N
MW310.37 g/mol
LogP0.75
Rot. Bonds3

About 9-methyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]purin-2-amine

9-methyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]purin-2-amine (PubChem CID 162629517) has the molecular formula C15H18N8 and a molecular weight of 310.37 g/mol. Its IUPAC name is 9-methyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]purin-2-amine.

Molecular Properties

Compound Name9-methyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]purin-2-amine
PubChem CID162629517
Molecular FormulaC15H18N8
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name9-methyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]purin-2-amine
SMILESCN1CCc2nc(CNc3ncc4ncn(C)c4n3)ncc2C1
InChIInChI=1S/C15H18N8/c1-22-4-3-11-10(8-22)5-16-13(20-11)7-18-15-17-6-12-14(21-15)23(2)9-19-12/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18,21)
InChIKeyQAKZBLHSYJNGGD-UHFFFAOYSA-N
XLogP0.75
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 9-methyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]purin-2-amine with MolForge

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Related Compounds

2-ethyl-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 126630251
N-(furan-2-ylmethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 53215343
5,6-dimethyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 163315348
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-9-methylpurin-2-amine
CID 157014952
N'-(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)ethane-1,2-diamine
CID 83830462
9-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]purin-2-amine
CID 162627078
acetic acid;(1S,3R,4R)-4-amino-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]-3-propoxycyclohexane-1-carboxamide
CID 155939621
9-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)purin-2-amine
CID 157015505
6-ethyl-2-(pyrrolidin-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 142805068
3-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)amino]propanoic acid
CID 83838681
6-[(5-nitrofuran-2-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908541
6-[(2,3-dimethylimidazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915783

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]purin-2-amine?
The IUPAC name of 9-methyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]purin-2-amine (CID 162629517) is 9-methyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]purin-2-amine.
What is the SMILES notation for 9-methyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]purin-2-amine?
The canonical SMILES for 9-methyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]purin-2-amine is CN1CCc2nc(CNc3ncc4ncn(C)c4n3)ncc2C1.
What is the InChIKey of 9-methyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]purin-2-amine?
The InChIKey is QAKZBLHSYJNGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8/c1-22-4-3-11-10(8-22)5-16-13(20-11)7-18-15-17-6-12-14(21-15)23(2)9-19-12/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18,21).
What are the key properties of 9-methyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]purin-2-amine?
9-methyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]purin-2-amine has a molecular weight of 310.37 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]purin-2-amine is sourced from PubChem (CID 162629517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).