2-ethyl-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one

C12H19N3O2 — CID 136976076

IUPAC2-ethyl-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCC2(O)CCCC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-2-9-14-10(7-11(16)15-9)13-8-12(17)5-3-4-6-12/h7,17H,2-6,8H2,1H3,(H2,13,14,15,16)
InChIKeyWLKSUVWWFTUOJE-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.05
Rot. Bonds4

About 2-ethyl-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one

2-ethyl-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136976076) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-ethyl-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136976076
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-ethyl-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCC2(O)CCCC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-2-9-14-10(7-11(16)15-9)13-8-12(17)5-3-4-6-12/h7,17H,2-6,8H2,1H3,(H2,13,14,15,16)
InChIKeyWLKSUVWWFTUOJE-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703830
4-[(2-hydroxy-4-methylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136703833
2-ethyl-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703839
4-[2-(2-hydroxyethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136704097
2-ethyl-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704104
2-ethyl-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one
CID 136817762
4-[(3-ethyl-2-hydroxypentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136817763
4-[(3-ethyl-2-hydroxypentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136817766
4-[(2-hydroxy-2-methylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136819385
4-[(2-hydroxy-2-methylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136819389
2-ethyl-4-(4-hydroxy-4-methylazepan-1-yl)-1H-pyrimidin-6-one
CID 136868754
2-ethyl-4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136902399

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one (CID 136976076) is 2-ethyl-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one is CCc1nc(NCC2(O)CCCC2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is WLKSUVWWFTUOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-9-14-10(7-11(16)15-9)13-8-12(17)5-3-4-6-12/h7,17H,2-6,8H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-ethyl-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one?
2-ethyl-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).