3-methyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C11H17N3O — CID 83883369

IUPAC3-methyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)c1nc2c(c(=O)n1C)CNCC2
InChIInChI=1S/C11H17N3O/c1-7(2)10-13-9-4-5-12-6-8(9)11(15)14(10)3/h7,12H,4-6H2,1-3H3
InChIKeyJGTYQSLYYZSWIR-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.55
Rot. Bonds1

About 3-methyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

3-methyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 83883369) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-methyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID83883369
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-methyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)c1nc2c(c(=O)n1C)CNCC2
InChIInChI=1S/C11H17N3O/c1-7(2)10-13-9-4-5-12-6-8(9)11(15)14(10)3/h7,12H,4-6H2,1-3H3
InChIKeyJGTYQSLYYZSWIR-UHFFFAOYSA-N
XLogP0.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Aminoethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 11367765
2-Methyl-5,6,7,8-tetrahydropyrido[4,3-D]pyrimidin-4(3H)-one
CID 135578164
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)acetamide
CID 135896886
1,4,6-trimethyl-N-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 137021895
2-(Trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(1H)-one
CID 136145843
6-Methyl-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861536
2-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941052
2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941200
6-Cyclohexyl-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136108107
N-tert-butyl-2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide
CID 136850992
3,4,6,7,8,9-Hexahydro-1H-dipyrido[1,2-a:4',3'-d]pyrimidin-11(2H)-one
CID 609380
14-Methyl-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9-dien-2-one
CID 13815434

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 83883369) is 3-methyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CC(C)c1nc2c(c(=O)n1C)CNCC2.
What is the InChIKey of 3-methyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is JGTYQSLYYZSWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7(2)10-13-9-4-5-12-6-8(9)11(15)14(10)3/h7,12H,4-6H2,1-3H3.
What are the key properties of 3-methyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
3-methyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 207.28 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 83883369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).