2-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one

C12H19N3O2 — CID 136746818

IUPAC2-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NC2CCCC2CO)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-2-10-14-11(6-12(17)15-10)13-9-5-3-4-8(9)7-16/h6,8-9,16H,2-5,7H2,1H3,(H2,13,14,15,17)
InChIKeyHAEUWLDTQLKTMI-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.91
Rot. Bonds4

About 2-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one

2-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one (PubChem CID 136746818) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
PubChem CID136746818
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NC2CCCC2CO)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-2-10-14-11(6-12(17)15-10)13-9-5-3-4-8(9)7-16/h6,8-9,16H,2-5,7H2,1H3,(H2,13,14,15,17)
InChIKeyHAEUWLDTQLKTMI-UHFFFAOYSA-N
XLogP0.91
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-hydroxyethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136704097
2-cyclopropyl-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704098
2-ethyl-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704104
4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methyl-1H-pyrimidin-6-one
CID 136746819
4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136746822
2-cyclopropyl-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136746825
4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136746827
2-ethyl-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136746829
4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one
CID 136746830
4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136746833
2-cyclopropyl-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136746836
4-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136847963

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one (CID 136746818) is 2-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one is CCc1nc(NC2CCCC2CO)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one?
The InChIKey is HAEUWLDTQLKTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-10-14-11(6-12(17)15-10)13-9-5-3-4-8(9)7-16/h6,8-9,16H,2-5,7H2,1H3,(H2,13,14,15,17).
What are the key properties of 2-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one?
2-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136746818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).