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

C16H25N3O — CID 135866073

IUPAC7-(cyclopentylmethyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCCc1nc2c(c(=O)[nH]1)CCN(CC1CCCC1)C2
InChIInChI=1S/C16H25N3O/c1-2-5-15-17-14-11-19(10-12-6-3-4-7-12)9-8-13(14)16(20)18-15/h12H,2-11H2,1H3,(H,17,18,20)
InChIKeyPHIZZCOTCHDWDS-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.27
Rot. Bonds4

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

7-(cyclopentylmethyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135866073) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 7-(cyclopentylmethyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(cyclopentylmethyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135866073
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name7-(cyclopentylmethyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCCc1nc2c(c(=O)[nH]1)CCN(CC1CCCC1)C2
InChIInChI=1S/C16H25N3O/c1-2-5-15-17-14-11-19(10-12-6-3-4-7-12)9-8-13(14)16(20)18-15/h12H,2-11H2,1H3,(H,17,18,20)
InChIKeyPHIZZCOTCHDWDS-UHFFFAOYSA-N
XLogP2.27
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-Aminocyclopentyl)-6-ethyl-5-methyl-1,4-dihydropyrimidin-4-one
CID 135968160
2-(1-aminocyclopentyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 136103262
2-(cyclopropylmethyl)-7-[(1-isopropyl-4-piperidinyl)carbonyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136217057
7-Acetyl-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136796538
7-Cyclohexyl-2-(1-propanoylpyrrolidin-3-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136796967
2-(1-aminocyclopentyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one;hydrochloride
CID 136141177
7-(Cyclopentylmethyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866086
7-(Cyclohexylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865784
7-[(2,4-Dimethylcyclohex-3-en-1-yl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137095098
2-Ethyl-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136036455
2-((Dimethylamino)methyl)-5-isopropyl-6-methylpyrimidin-4-ol
CID 136293526
2-((Dimethylamino)methyl)-6,6-dimethyl-5,6,7,8-tetrahydroquinazolin-4-ol
CID 136331538

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopentylmethyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(cyclopentylmethyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135866073) is 7-(cyclopentylmethyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-(cyclopentylmethyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(cyclopentylmethyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CCCc1nc2c(c(=O)[nH]1)CCN(CC1CCCC1)C2.
What is the InChIKey of 7-(cyclopentylmethyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is PHIZZCOTCHDWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-5-15-17-14-11-19(10-12-6-3-4-7-12)9-8-13(14)16(20)18-15/h12H,2-11H2,1H3,(H,17,18,20).
What are the key properties of 7-(cyclopentylmethyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-(cyclopentylmethyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 275.40 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopentylmethyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135866073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).