4-[3-[cyclohexyl(methyl)amino]propylamino]-2-methyl-1H-pyrimidin-6-one

C15H26N4O — CID 136956209

IUPAC4-[3-[cyclohexyl(methyl)amino]propylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCCN(C)C2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C15H26N4O/c1-12-17-14(11-15(20)18-12)16-9-6-10-19(2)13-7-4-3-5-8-13/h11,13H,3-10H2,1-2H3,(H2,16,17,18,20)
InChIKeyWGFDDSGJKDXCTM-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.14
Rot. Bonds6

About 4-[3-[cyclohexyl(methyl)amino]propylamino]-2-methyl-1H-pyrimidin-6-one

4-[3-[cyclohexyl(methyl)amino]propylamino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136956209) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[3-[cyclohexyl(methyl)amino]propylamino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-[cyclohexyl(methyl)amino]propylamino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136956209
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-[3-[cyclohexyl(methyl)amino]propylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCCN(C)C2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C15H26N4O/c1-12-17-14(11-15(20)18-12)16-9-6-10-19(2)13-7-4-3-5-8-13/h11,13H,3-10H2,1-2H3,(H2,16,17,18,20)
InChIKeyWGFDDSGJKDXCTM-UHFFFAOYSA-N
XLogP2.14
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
1-[4-[(6-Methyl-1,2-dihydropyrimidin-4-yl)amino]piperidin-1-yl]ethanone
CID 118929981
4-Hydroxy-2-methyl-6-(piperidin-1-yl)pyrimidine
CID 137000217
2,6-Diamino-1-piperidin-4-ylpyrimidin-4-one
CID 140969377
3-[3-(Cyclohexylamino)propyl]-2,6-dimethylpyrimidin-4-one
CID 55236462
3-[2-(Cyclohexylamino)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63793846
2-(1-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699557
2-(2-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699558
1-cyclohexyl-2-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]guanidine
CID 121829111
6-Amino-5-[(cyclohexylamino)methyl]-2-methylpyrimidin-4-ol
CID 135510891
2-methyl-4-(octylamino)-1H-pyrimidin-6-one
CID 135818518

Frequently Asked Questions

What is the IUPAC name of 4-[3-[cyclohexyl(methyl)amino]propylamino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-[cyclohexyl(methyl)amino]propylamino]-2-methyl-1H-pyrimidin-6-one (CID 136956209) is 4-[3-[cyclohexyl(methyl)amino]propylamino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-[cyclohexyl(methyl)amino]propylamino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-[cyclohexyl(methyl)amino]propylamino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(NCCCN(C)C2CCCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[3-[cyclohexyl(methyl)amino]propylamino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is WGFDDSGJKDXCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12-17-14(11-15(20)18-12)16-9-6-10-19(2)13-7-4-3-5-8-13/h11,13H,3-10H2,1-2H3,(H2,16,17,18,20).
What are the key properties of 4-[3-[cyclohexyl(methyl)amino]propylamino]-2-methyl-1H-pyrimidin-6-one?
4-[3-[cyclohexyl(methyl)amino]propylamino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 278.40 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[cyclohexyl(methyl)amino]propylamino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136956209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).