2-methyl-6-(7H-purin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C13H13N7O — CID 171999143

IUPAC2-methyl-6-(7H-purin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(c1ncnc3nc[nH]c13)CC2
InChIInChI=1S/C13H13N7O/c1-7-18-9-2-3-20(4-8(9)13(21)19-7)12-10-11(15-5-14-10)16-6-17-12/h5-6H,2-4H2,1H3,(H,18,19,21)(H,14,15,16,17)
InChIKeyUMYIWFAHLYZCPO-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.31
Rot. Bonds1

About 2-methyl-6-(7H-purin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-methyl-6-(7H-purin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 171999143) has the molecular formula C13H13N7O and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-methyl-6-(7H-purin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-6-(7H-purin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID171999143
Molecular FormulaC13H13N7O
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC Name2-methyl-6-(7H-purin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(c1ncnc3nc[nH]c13)CC2
InChIInChI=1S/C13H13N7O/c1-7-18-9-2-3-20(4-8(9)13(21)19-7)12-10-11(15-5-14-10)16-6-17-12/h5-6H,2-4H2,1H3,(H,18,19,21)(H,14,15,16,17)
InChIKeyUMYIWFAHLYZCPO-UHFFFAOYSA-N
XLogP0.31
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-6-(7H-purin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-6-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 171996351
6-(4-methoxypyrimidin-2-yl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 171995481
2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 172891354
6-(3-methylpiperazin-1-yl)-7H-purine
CID 62479456
1-(1-methylpyrazol-4-yl)-4-(7H-purin-6-yl)piperazin-2-one
CID 133336935
2-methyl-1,7-dihydropurin-6-one
CID 135449674
4-(7H-purin-6-yl)piperazine-1-carbaldehyde
CID 118720796
2-methyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946139
6-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 171997932
methane;2-methyl-1,7-dihydropurin-6-one;7H-purin-6-amine
CID 159357752
6-(1H-imidazol-2-ylmethyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861014
2,3-dimethyl-6-pyrido[2,3-d]pyrimidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 175650429

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(7H-purin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-6-(7H-purin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 171999143) is 2-methyl-6-(7H-purin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-6-(7H-purin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-6-(7H-purin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CN(c1ncnc3nc[nH]c13)CC2.
What is the InChIKey of 2-methyl-6-(7H-purin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is UMYIWFAHLYZCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O/c1-7-18-9-2-3-20(4-8(9)13(21)19-7)12-10-11(15-5-14-10)16-6-17-12/h5-6H,2-4H2,1H3,(H,18,19,21)(H,14,15,16,17).
What are the key properties of 2-methyl-6-(7H-purin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-methyl-6-(7H-purin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 283.29 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(7H-purin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 171999143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).