4-(1-aminoethyl)-6-cyclohexyl-1H-pyrimidin-2-one

C12H19N3O — CID 83849705

IUPAC4-(1-aminoethyl)-6-cyclohexyl-1H-pyrimidin-2-one
SMILESCC(N)c1cc(C2CCCCC2)[nH]c(=O)n1
InChIInChI=1S/C12H19N3O/c1-8(13)10-7-11(15-12(16)14-10)9-5-3-2-4-6-9/h7-9H,2-6,13H2,1H3,(H,14,15,16)
InChIKeyLWVIBGMVXRJNOX-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.84
Rot. Bonds2

About 4-(1-aminoethyl)-6-cyclohexyl-1H-pyrimidin-2-one

4-(1-aminoethyl)-6-cyclohexyl-1H-pyrimidin-2-one (PubChem CID 83849705) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-(1-aminoethyl)-6-cyclohexyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(1-aminoethyl)-6-cyclohexyl-1H-pyrimidin-2-one
PubChem CID83849705
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-(1-aminoethyl)-6-cyclohexyl-1H-pyrimidin-2-one
SMILESCC(N)c1cc(C2CCCCC2)[nH]c(=O)n1
InChIInChI=1S/C12H19N3O/c1-8(13)10-7-11(15-12(16)14-10)9-5-3-2-4-6-9/h7-9H,2-6,13H2,1H3,(H,14,15,16)
InChIKeyLWVIBGMVXRJNOX-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-6-cyclohexyl-1H-pyrimidin-2-one?
The IUPAC name of 4-(1-aminoethyl)-6-cyclohexyl-1H-pyrimidin-2-one (CID 83849705) is 4-(1-aminoethyl)-6-cyclohexyl-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(1-aminoethyl)-6-cyclohexyl-1H-pyrimidin-2-one?
The canonical SMILES for 4-(1-aminoethyl)-6-cyclohexyl-1H-pyrimidin-2-one is CC(N)c1cc(C2CCCCC2)[nH]c(=O)n1.
What is the InChIKey of 4-(1-aminoethyl)-6-cyclohexyl-1H-pyrimidin-2-one?
The InChIKey is LWVIBGMVXRJNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8(13)10-7-11(15-12(16)14-10)9-5-3-2-4-6-9/h7-9H,2-6,13H2,1H3,(H,14,15,16).
What are the key properties of 4-(1-aminoethyl)-6-cyclohexyl-1H-pyrimidin-2-one?
4-(1-aminoethyl)-6-cyclohexyl-1H-pyrimidin-2-one has a molecular weight of 221.30 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-6-cyclohexyl-1H-pyrimidin-2-one is sourced from PubChem (CID 83849705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).