2-(1-aminocyclohexyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one;hydrochloride

C13H22ClN3O — CID 135962934

IUPAC2-(1-aminocyclohexyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one;hydrochloride
SMILESCCc1c(C)nc(C2(N)CCCCC2)[nH]c1=O.Cl
InChIInChI=1S/C13H21N3O.ClH/c1-3-10-9(2)15-12(16-11(10)17)13(14)7-5-4-6-8-13;/h3-8,14H2,1-2H3,(H,15,16,17);1H
InChIKeyHKPLQUFDOODIJL-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.18
Rot. Bonds2

About 2-(1-aminocyclohexyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one;hydrochloride

2-(1-aminocyclohexyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one;hydrochloride (PubChem CID 135962934) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one;hydrochloride
PubChem CID135962934
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name2-(1-aminocyclohexyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one;hydrochloride
SMILESCCc1c(C)nc(C2(N)CCCCC2)[nH]c1=O.Cl
InChIInChI=1S/C13H21N3O.ClH/c1-3-10-9(2)15-12(16-11(10)17)13(14)7-5-4-6-8-13;/h3-8,14H2,1-2H3,(H,15,16,17);1H
InChIKeyHKPLQUFDOODIJL-UHFFFAOYSA-N
XLogP2.18
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 2-(1-aminocyclohexyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one;hydrochloride (CID 135962934) is 2-(1-aminocyclohexyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 2-(1-aminocyclohexyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 2-(1-aminocyclohexyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one;hydrochloride is CCc1c(C)nc(C2(N)CCCCC2)[nH]c1=O.Cl.
What is the InChIKey of 2-(1-aminocyclohexyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is HKPLQUFDOODIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O.ClH/c1-3-10-9(2)15-12(16-11(10)17)13(14)7-5-4-6-8-13;/h3-8,14H2,1-2H3,(H,15,16,17);1H.
What are the key properties of 2-(1-aminocyclohexyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one;hydrochloride?
2-(1-aminocyclohexyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 271.79 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 135962934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).