4-methyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-2-one

C14H23N3O — CID 114217446

IUPAC4-methyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-2-one
SMILESCc1ccn(CCNC2CCCC(C)C2)c(=O)n1
InChIInChI=1S/C14H23N3O/c1-11-4-3-5-13(10-11)15-7-9-17-8-6-12(2)16-14(17)18/h6,8,11,13,15H,3-5,7,9-10H2,1-2H3
InChIKeyINHANTCCWIVAKG-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.72
Rot. Bonds4

About 4-methyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-2-one

4-methyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-2-one (PubChem CID 114217446) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-methyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-methyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-2-one
PubChem CID114217446
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-methyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-2-one
SMILESCc1ccn(CCNC2CCCC(C)C2)c(=O)n1
InChIInChI=1S/C14H23N3O/c1-11-4-3-5-13(10-11)15-7-9-17-8-6-12(2)16-14(17)18/h6,8,11,13,15H,3-5,7,9-10H2,1-2H3
InChIKeyINHANTCCWIVAKG-UHFFFAOYSA-N
XLogP1.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(cyclohexylamino)propyl]-4-methylpyrimidin-2-one
CID 114217449
3-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyridin-2-one
CID 114761550
7-methyl-3-[2-[(3-methylcyclohexyl)amino]ethyl]thieno[3,2-d]pyrimidin-4-one
CID 102685572
N-(3-indol-1-ylpropyl)-3-methylcyclohexan-1-amine
CID 43078302
5-fluoro-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidine-2,4-dione
CID 55220462
5-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidine-2,4-dione
CID 63777990
1-[2-(cyclohexylamino)ethyl]-4,6-dimethylpyrimidin-2-one
CID 62564492
6-methyl-2-N-(3-methylcyclohexyl)pyridine-2,3-diamine
CID 81131942
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 60701471
N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-methylcyclohexan-1-amine
CID 62567794
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine
CID 55024069

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-2-one?
The IUPAC name of 4-methyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-2-one (CID 114217446) is 4-methyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-2-one.
What is the SMILES notation for 4-methyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-2-one?
The canonical SMILES for 4-methyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-2-one is Cc1ccn(CCNC2CCCC(C)C2)c(=O)n1.
What is the InChIKey of 4-methyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-2-one?
The InChIKey is INHANTCCWIVAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-4-3-5-13(10-11)15-7-9-17-8-6-12(2)16-14(17)18/h6,8,11,13,15H,3-5,7,9-10H2,1-2H3.
What are the key properties of 4-methyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-2-one?
4-methyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-2-one has a molecular weight of 249.36 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-2-one is sourced from PubChem (CID 114217446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).