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

C14H23N3O — CID 55162824

IUPAC5-methyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-2-one
SMILESCc1cnc(=O)n(CCNC2CCCC(C)C2)c1
InChIInChI=1S/C14H23N3O/c1-11-4-3-5-13(8-11)15-6-7-17-10-12(2)9-16-14(17)18/h9-11,13,15H,3-8H2,1-2H3
InChIKeyNVMRJCCRSQJVFP-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.72
Rot. Bonds4

About 5-methyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-2-one

5-methyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-2-one (PubChem CID 55162824) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 5-methyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name5-methyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-2-one
PubChem CID55162824
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name5-methyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-2-one
SMILESCc1cnc(=O)n(CCNC2CCCC(C)C2)c1
InChIInChI=1S/C14H23N3O/c1-11-4-3-5-13(8-11)15-6-7-17-10-12(2)9-16-14(17)18/h9-11,13,15H,3-8H2,1-2H3
InChIKeyNVMRJCCRSQJVFP-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

Analyze 5-methyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-2-one?
The IUPAC name of 5-methyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-2-one (CID 55162824) is 5-methyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-2-one.
What is the SMILES notation for 5-methyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-2-one?
The canonical SMILES for 5-methyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-2-one is Cc1cnc(=O)n(CCNC2CCCC(C)C2)c1.
What is the InChIKey of 5-methyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-2-one?
The InChIKey is NVMRJCCRSQJVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-4-3-5-13(8-11)15-6-7-17-10-12(2)9-16-14(17)18/h9-11,13,15H,3-8H2,1-2H3.
What are the key properties of 5-methyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-2-one?
5-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 5-methyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-2-one is sourced from PubChem (CID 55162824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).