6-(aminomethyl)-4-chloro-1-cyclohexylpyrimidin-2-one

C11H16ClN3O — CID 83852712

IUPAC6-(aminomethyl)-4-chloro-1-cyclohexylpyrimidin-2-one
SMILESNCc1cc(Cl)nc(=O)n1C1CCCCC1
InChIInChI=1S/C11H16ClN3O/c12-10-6-9(7-13)15(11(16)14-10)8-4-2-1-3-5-8/h6,8H,1-5,7,13H2
InChIKeyMIVBQCIVXVFYIW-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.86
Rot. Bonds2

About 6-(aminomethyl)-4-chloro-1-cyclohexylpyrimidin-2-one

6-(aminomethyl)-4-chloro-1-cyclohexylpyrimidin-2-one (PubChem CID 83852712) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 6-(aminomethyl)-4-chloro-1-cyclohexylpyrimidin-2-one.

Molecular Properties

Compound Name6-(aminomethyl)-4-chloro-1-cyclohexylpyrimidin-2-one
PubChem CID83852712
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name6-(aminomethyl)-4-chloro-1-cyclohexylpyrimidin-2-one
SMILESNCc1cc(Cl)nc(=O)n1C1CCCCC1
InChIInChI=1S/C11H16ClN3O/c12-10-6-9(7-13)15(11(16)14-10)8-4-2-1-3-5-8/h6,8H,1-5,7,13H2
InChIKeyMIVBQCIVXVFYIW-UHFFFAOYSA-N
XLogP1.86
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(aminomethyl)-4-chloro-1-cyclohexylpyrimidin-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

Related Compounds

6-(2-aminoethyl)-4-chloro-1-cyclobutylpyrimidin-2-one
CID 83852519
2-(6-chloro-3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid
CID 83852527
6-(aminomethyl)-4-chloro-1-ethylpyrimidin-2-one
CID 83851964
7-chloro-1-cyclohexyl-4-methylquinazolin-2-one
CID 159258244
4-amino-6-(aminomethyl)-1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 141235827
(6S)-11-chloro-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one
CID 118686136
1-cyclononyl-3,5-di(cyclooctyl)-1,3,5-triazinane-2,4,6-trione
CID 148955013
6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole
CID 115470830
3-(chloromethyl)-1-cyclohexyl-4,6-dimethylpyridin-2-one
CID 82525716
6-(aminomethyl)-2-cyclohexylpyridazin-3-one
CID 82507350
3-(aminomethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82189071
8-chloro-3-cyclohexyl-7H-purine-2,6-dione
CID 70146367

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-chloro-1-cyclohexylpyrimidin-2-one?
The IUPAC name of 6-(aminomethyl)-4-chloro-1-cyclohexylpyrimidin-2-one (CID 83852712) is 6-(aminomethyl)-4-chloro-1-cyclohexylpyrimidin-2-one.
What is the SMILES notation for 6-(aminomethyl)-4-chloro-1-cyclohexylpyrimidin-2-one?
The canonical SMILES for 6-(aminomethyl)-4-chloro-1-cyclohexylpyrimidin-2-one is NCc1cc(Cl)nc(=O)n1C1CCCCC1.
What is the InChIKey of 6-(aminomethyl)-4-chloro-1-cyclohexylpyrimidin-2-one?
The InChIKey is MIVBQCIVXVFYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c12-10-6-9(7-13)15(11(16)14-10)8-4-2-1-3-5-8/h6,8H,1-5,7,13H2.
What are the key properties of 6-(aminomethyl)-4-chloro-1-cyclohexylpyrimidin-2-one?
6-(aminomethyl)-4-chloro-1-cyclohexylpyrimidin-2-one has a molecular weight of 241.72 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-4-chloro-1-cyclohexylpyrimidin-2-one is sourced from PubChem (CID 83852712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).