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

C14H24N4O — CID 136972581

IUPAC4-[3-aminopropyl(cyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(CCCN)C2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C14H24N4O/c1-11-16-13(10-14(19)17-11)18(9-5-8-15)12-6-3-2-4-7-12/h10,12H,2-9,15H2,1H3,(H,16,17,19)
InChIKeyVMYKMJRQGNRWGW-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.57
Rot. Bonds5

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

4-[3-aminopropyl(cyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136972581) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[3-aminopropyl(cyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-aminopropyl(cyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136972581
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-[3-aminopropyl(cyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(CCCN)C2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C14H24N4O/c1-11-16-13(10-14(19)17-11)18(9-5-8-15)12-6-3-2-4-7-12/h10,12H,2-9,15H2,1H3,(H,16,17,19)
InChIKeyVMYKMJRQGNRWGW-UHFFFAOYSA-N
XLogP1.57
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-aminopropyl(cyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-aminopropyl(cyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136972581) is 4-[3-aminopropyl(cyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-aminopropyl(cyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-aminopropyl(cyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(N(CCCN)C2CCCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[3-aminopropyl(cyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is VMYKMJRQGNRWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11-16-13(10-14(19)17-11)18(9-5-8-15)12-6-3-2-4-7-12/h10,12H,2-9,15H2,1H3,(H,16,17,19).
What are the key properties of 4-[3-aminopropyl(cyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[3-aminopropyl(cyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 264.37 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-aminopropyl(cyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136972581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).