2-(cyclohexylamino)-4-methyl-1H-pyrimidin-6-one;hydrochloride

C11H18ClN3O — CID 135887781

IUPAC2-(cyclohexylamino)-4-methyl-1H-pyrimidin-6-one;hydrochloride
SMILESCc1cc(=O)[nH]c(NC2CCCCC2)n1.Cl
InChIInChI=1S/C11H17N3O.ClH/c1-8-7-10(15)14-11(12-8)13-9-5-3-2-4-6-9;/h7,9H,2-6H2,1H3,(H2,12,13,14,15);1H
InChIKeyNKRSWPLKLNWMFO-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.24
Rot. Bonds2

About 2-(cyclohexylamino)-4-methyl-1H-pyrimidin-6-one;hydrochloride

2-(cyclohexylamino)-4-methyl-1H-pyrimidin-6-one;hydrochloride (PubChem CID 135887781) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 2-(cyclohexylamino)-4-methyl-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name2-(cyclohexylamino)-4-methyl-1H-pyrimidin-6-one;hydrochloride
PubChem CID135887781
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name2-(cyclohexylamino)-4-methyl-1H-pyrimidin-6-one;hydrochloride
SMILESCc1cc(=O)[nH]c(NC2CCCCC2)n1.Cl
InChIInChI=1S/C11H17N3O.ClH/c1-8-7-10(15)14-11(12-8)13-9-5-3-2-4-6-9;/h7,9H,2-6H2,1H3,(H2,12,13,14,15);1H
InChIKeyNKRSWPLKLNWMFO-UHFFFAOYSA-N
XLogP2.24
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-4-methyl-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 2-(cyclohexylamino)-4-methyl-1H-pyrimidin-6-one;hydrochloride (CID 135887781) is 2-(cyclohexylamino)-4-methyl-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 2-(cyclohexylamino)-4-methyl-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 2-(cyclohexylamino)-4-methyl-1H-pyrimidin-6-one;hydrochloride is Cc1cc(=O)[nH]c(NC2CCCCC2)n1.Cl.
What is the InChIKey of 2-(cyclohexylamino)-4-methyl-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is NKRSWPLKLNWMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.ClH/c1-8-7-10(15)14-11(12-8)13-9-5-3-2-4-6-9;/h7,9H,2-6H2,1H3,(H2,12,13,14,15);1H.
What are the key properties of 2-(cyclohexylamino)-4-methyl-1H-pyrimidin-6-one;hydrochloride?
2-(cyclohexylamino)-4-methyl-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 243.74 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-4-methyl-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 135887781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).