2-(1-aminocyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one

C12H19N3O — CID 135968160

IUPAC2-(1-aminocyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
SMILESCCc1nc(C2(N)CCCC2)[nH]c(=O)c1C
InChIInChI=1S/C12H19N3O/c1-3-9-8(2)10(16)15-11(14-9)12(13)6-4-5-7-12/h3-7,13H2,1-2H3,(H,14,15,16)
InChIKeyIPVLEIJEJVXAQR-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.37
Rot. Bonds2

About 2-(1-aminocyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one

2-(1-aminocyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one (PubChem CID 135968160) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
PubChem CID135968160
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-(1-aminocyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
SMILESCCc1nc(C2(N)CCCC2)[nH]c(=O)c1C
InChIInChI=1S/C12H19N3O/c1-3-9-8(2)10(16)15-11(14-9)12(13)6-4-5-7-12/h3-7,13H2,1-2H3,(H,14,15,16)
InChIKeyIPVLEIJEJVXAQR-UHFFFAOYSA-N
XLogP1.37
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-aminocyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one (CID 135968160) is 2-(1-aminocyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-aminocyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-aminocyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one is CCc1nc(C2(N)CCCC2)[nH]c(=O)c1C.
What is the InChIKey of 2-(1-aminocyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one?
The InChIKey is IPVLEIJEJVXAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-9-8(2)10(16)15-11(14-9)12(13)6-4-5-7-12/h3-7,13H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(1-aminocyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one?
2-(1-aminocyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one has a molecular weight of 221.30 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135968160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).