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

C14H19N3O2 — CID 135481518

IUPAC6-(cyclopentanecarbonyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(C(=O)C1CCCC1)CC2
InChIInChI=1S/C14H19N3O2/c1-9-15-12-6-7-17(8-11(12)13(18)16-9)14(19)10-4-2-3-5-10/h10H,2-8H2,1H3,(H,15,16,18)
InChIKeyUBHDGICTPNUKIB-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.15
Rot. Bonds1

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

6-(cyclopentanecarbonyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135481518) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 6-(cyclopentanecarbonyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(cyclopentanecarbonyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135481518
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name6-(cyclopentanecarbonyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(C(=O)C1CCCC1)CC2
InChIInChI=1S/C14H19N3O2/c1-9-15-12-6-7-17(8-11(12)13(18)16-9)14(19)10-4-2-3-5-10/h10H,2-8H2,1H3,(H,15,16,18)
InChIKeyUBHDGICTPNUKIB-UHFFFAOYSA-N
XLogP1.15
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-Butanoylpyrrolidin-3-yl)-6-cyclopentyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136797154
6-[1-(Cyclopentylacetyl)-3-piperidinyl]-2-methyl-4-pyrimidinol
CID 136233980
(6aS,9aR)-8-(cyclohexanecarbonyl)-2-methyl-5,6,6a,7,9,9a-hexahydro-3H-pyrrolo[3,4-h]quinazolin-4-one
CID 136680914
6-(Cyclohexylmethyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136707124
3-ethyl-N,N,2,6-tetramethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide
CID 21678583
6-Acetyl-2-butyl-5,6,7,8-tetrahydro-pyrido-[4,3-d]pyrimidin-4(3H)-one
CID 136014034
2-[2-(Dimethylamino)ethyl]-6,6-dimethyl-3,5,7,8-tetrahydroquinazolin-4-one
CID 136378557
5-Tert-butyl-2,3-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 142713876
(6S,9R)-3-ethyl-N,N,2,6-tetramethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide
CID 23278762
(6S,9S)-3-ethyl-N,N,2,6-tetramethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide
CID 23278763
2-methyl-3-(piperidin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 82105309
2-Methyl-3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-one
CID 82105312

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentanecarbonyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(cyclopentanecarbonyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135481518) is 6-(cyclopentanecarbonyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(cyclopentanecarbonyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(cyclopentanecarbonyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CN(C(=O)C1CCCC1)CC2.
What is the InChIKey of 6-(cyclopentanecarbonyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is UBHDGICTPNUKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-15-12-6-7-17(8-11(12)13(18)16-9)14(19)10-4-2-3-5-10/h10H,2-8H2,1H3,(H,15,16,18).
What are the key properties of 6-(cyclopentanecarbonyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-(cyclopentanecarbonyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 261.32 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentanecarbonyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135481518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).