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

C11H17N3O — CID 136955879

IUPAC4-(cyclohexylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O/c1-8-12-10(7-11(15)13-8)14-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyBXNNVRJOQKVUQQ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.82
Rot. Bonds2

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

4-(cyclohexylamino)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136955879) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-(cyclohexylamino)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(cyclohexylamino)-2-methyl-1H-pyrimidin-6-one
PubChem CID136955879
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-(cyclohexylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O/c1-8-12-10(7-11(15)13-8)14-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyBXNNVRJOQKVUQQ-UHFFFAOYSA-N
XLogP1.82
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4,4-Difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one
CID 177233933
2-Amino-6-(cyclohexylamino)pyrimidin-4(1h)-one
CID 135402393
6-(Cyclohexylamino)pyrimidin-4(1H)-one
CID 136271514
2-ethyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976592
2-methyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 137015545
1-(4-amino-6-oxo-1H-pyrimidin-2-yl)-3-cyclohexylurea
CID 136084608
4-Hydroxy-2-methyl-6-(piperidin-1-yl)pyrimidine
CID 137000217
cyclohexanamine;4-(methylamino)-1H-pyrimidin-6-one
CID 145268943
3-[3-(Cyclohexylamino)propyl]-2,6-dimethylpyrimidin-4-one
CID 55236462
2,6-Dimethyl-3-[5-(methylamino)hexyl]pyrimidin-4-one
CID 63769180
2,6-Dimethyl-3-[5-(propylamino)hexyl]pyrimidin-4-one
CID 63769691
3-[5-(Ethylamino)hexyl]-2,6-dimethylpyrimidin-4-one
CID 63769696

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(cyclohexylamino)-2-methyl-1H-pyrimidin-6-one (CID 136955879) is 4-(cyclohexylamino)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(cyclohexylamino)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(cyclohexylamino)-2-methyl-1H-pyrimidin-6-one is Cc1nc(NC2CCCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-(cyclohexylamino)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is BXNNVRJOQKVUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-12-10(7-11(15)13-8)14-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-(cyclohexylamino)-2-methyl-1H-pyrimidin-6-one?
4-(cyclohexylamino)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 207.28 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136955879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).