2-(cyclohexylamino)-3-methylpyrimidin-4-one

C11H17N3O — CID 91499766

IUPAC2-(cyclohexylamino)-3-methylpyrimidin-4-one
SMILESCn1c(NC2CCCCC2)nccc1=O
InChIInChI=1S/C11H17N3O/c1-14-10(15)7-8-12-11(14)13-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeyDELGPWUCVWUGJD-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.52
Rot. Bonds2

About 2-(cyclohexylamino)-3-methylpyrimidin-4-one

2-(cyclohexylamino)-3-methylpyrimidin-4-one (PubChem CID 91499766) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(cyclohexylamino)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-(cyclohexylamino)-3-methylpyrimidin-4-one
PubChem CID91499766
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(cyclohexylamino)-3-methylpyrimidin-4-one
SMILESCn1c(NC2CCCCC2)nccc1=O
InChIInChI=1S/C11H17N3O/c1-14-10(15)7-8-12-11(14)13-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeyDELGPWUCVWUGJD-UHFFFAOYSA-N
XLogP1.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Cyclohexylamino-6-methyl-4(3h)-pyrimidinone
CID 135452163
2-[Methyl(piperidin-4-yl)amino]pyrimidin-4-ol
CID 14601273
2-Amino-6-(cyclohexylamino)pyrimidin-4(1h)-one
CID 135402393
2-Butylamino-3-methylpyrimidin-4-one
CID 21602095
1-octyl-3-(6-oxo-1H-pyrimidin-2-yl)urea
CID 91118207
6-(Cyclohexylamino)pyrimidin-4(1H)-one
CID 136271514
2-(Cyclohexylmethylamino)-5-fluoro-4(3H)-pyrimidinone
CID 53415571
2-(Cyclohexylamino)-3-hydropyrimidin-4-one
CID 716785
2-(cyclohexylamino)-4-methyl-1H-pyrimidin-6-one;hydrochloride
CID 135887781
2-(pentylamino)-1H-pyrimidin-6-one
CID 2069401
2-(tridecylamino)-1H-pyrimidin-6-one
CID 18353592
5-amino-2-(cyclohexylamino)-1H-pyrimidin-6-one
CID 20276668

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-3-methylpyrimidin-4-one?
The IUPAC name of 2-(cyclohexylamino)-3-methylpyrimidin-4-one (CID 91499766) is 2-(cyclohexylamino)-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-(cyclohexylamino)-3-methylpyrimidin-4-one?
The canonical SMILES for 2-(cyclohexylamino)-3-methylpyrimidin-4-one is Cn1c(NC2CCCCC2)nccc1=O.
What is the InChIKey of 2-(cyclohexylamino)-3-methylpyrimidin-4-one?
The InChIKey is DELGPWUCVWUGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-14-10(15)7-8-12-11(14)13-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-(cyclohexylamino)-3-methylpyrimidin-4-one?
2-(cyclohexylamino)-3-methylpyrimidin-4-one has a molecular weight of 207.28 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-3-methylpyrimidin-4-one is sourced from PubChem (CID 91499766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).