5,7-dimethyl-2-propyl-3H-pyrido[4,3-d]pyrimidin-4-one

C12H15N3O — CID 152751763

IUPAC5,7-dimethyl-2-propyl-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCCCc1nc2cc(C)nc(C)c2c(=O)[nH]1
InChIInChI=1S/C12H15N3O/c1-4-5-10-14-9-6-7(2)13-8(3)11(9)12(16)15-10/h6H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyVBTOFCUZMKBUAE-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.89
Rot. Bonds2

About 5,7-dimethyl-2-propyl-3H-pyrido[4,3-d]pyrimidin-4-one

5,7-dimethyl-2-propyl-3H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 152751763) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5,7-dimethyl-2-propyl-3H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,7-dimethyl-2-propyl-3H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID152751763
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5,7-dimethyl-2-propyl-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCCCc1nc2cc(C)nc(C)c2c(=O)[nH]1
InChIInChI=1S/C12H15N3O/c1-4-5-10-14-9-6-7(2)13-8(3)11(9)12(16)15-10/h6H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyVBTOFCUZMKBUAE-UHFFFAOYSA-N
XLogP1.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-6-propyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 135979569
7-nitro-2-propyl-3H-quinazolin-4-one
CID 136743498
2-propyl-3H-benzimidazole-5-carbaldehyde
CID 45077925
5-methyl-4-propan-2-yl-2-propyl-1H-pyrimidin-6-one
CID 136692836
5-(3,4-dimethylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868432
5-bromo-2-pentyl-3H-quinazolin-4-one
CID 150394937
2-butyl-5-fluoro-3H-quinazolin-4-one
CID 137190136
4-(3,5-dimethoxyphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one
CID 136769485
5-(3,4-dichlorophenyl)-6-ethyl-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868484
4-(3-chloro-4-methylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one
CID 136769809
6-methylsulfanyl-2-propyl-1H-benzimidazole
CID 25213187
4-(4-methylphenyl)-2-propyl-1H-pyrimidin-6-one
CID 136955380

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-propyl-3H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5,7-dimethyl-2-propyl-3H-pyrido[4,3-d]pyrimidin-4-one (CID 152751763) is 5,7-dimethyl-2-propyl-3H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,7-dimethyl-2-propyl-3H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5,7-dimethyl-2-propyl-3H-pyrido[4,3-d]pyrimidin-4-one is CCCc1nc2cc(C)nc(C)c2c(=O)[nH]1.
What is the InChIKey of 5,7-dimethyl-2-propyl-3H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is VBTOFCUZMKBUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-4-5-10-14-9-6-7(2)13-8(3)11(9)12(16)15-10/h6H,4-5H2,1-3H3,(H,14,15,16).
What are the key properties of 5,7-dimethyl-2-propyl-3H-pyrido[4,3-d]pyrimidin-4-one?
5,7-dimethyl-2-propyl-3H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 217.27 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-propyl-3H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 152751763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).