3-cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione;hydrochloride

C14H24ClN3O2 — CID 3041133

IUPAC3-cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione;hydrochloride
SMILESCN(C)Cc1cn(C)c(=O)n(C2CCCCC2)c1=O.Cl
InChIInChI=1S/C14H23N3O2.ClH/c1-15(2)9-11-10-16(3)14(19)17(13(11)18)12-7-5-4-6-8-12;/h10,12H,4-9H2,1-3H3;1H
InChIKeyGGNFHYYJSQBWAM-UHFFFAOYSA-N
MW301.82 g/mol
LogP1.54
Rot. Bonds3

About 3-cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione;hydrochloride

3-cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione;hydrochloride (PubChem CID 3041133) has the molecular formula C14H24ClN3O2 and a molecular weight of 301.82 g/mol. Its IUPAC name is 3-cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione;hydrochloride
PubChem CID3041133
Molecular FormulaC14H24ClN3O2
Molecular Weight301.82 g/mol
Exact Mass301.16
IUPAC Name3-cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione;hydrochloride
SMILESCN(C)Cc1cn(C)c(=O)n(C2CCCCC2)c1=O.Cl
InChIInChI=1S/C14H23N3O2.ClH/c1-15(2)9-11-10-16(3)14(19)17(13(11)18)12-7-5-4-6-8-12;/h10,12H,4-9H2,1-3H3;1H
InChIKeyGGNFHYYJSQBWAM-UHFFFAOYSA-N
XLogP1.54
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione;hydrochloride 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

Chinoin 127
CID 155639
1,3-Dicyclohexyl-5-dimethylaminomethylene-pyrimidine-2,4,6-trione
CID 646897
1-Cyclohexylthymine
CID 96032
Uracil, 5-(aminomethyl)-1-cyclohexyl-3-methyl-, monohydrochloride
CID 3041127
Uracil, 1-cyclohexyl-5-((dimethylamino)methyl)-3-methyl-, monohydrochloride
CID 3041129
Uracil, 1-cyclohexyl-3,6-dimethyl-5-((dimethylamino)methyl)-, monohydrochloride
CID 3041135
Uracil, 3-cyclohexyl-1,6-dimethyl-5-((dimethylamino)methyl)-, monohydrochloride
CID 3041141
CID 421651
CID 421651
rel-(6R,9aS)-1,6,7,8,9,9a-Hexahydro-1,6-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 12473939
5-(Aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione
CID 3041128
5-(Dihexylaminomethyl)uracil
CID 21625651
1-(2-Aminoacetyl)-5-(aminomethyl)-3-cyclohexylpyrimidine-2,4-dione
CID 91416028

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 3-cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione;hydrochloride (CID 3041133) is 3-cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 3-cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 3-cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione;hydrochloride is CN(C)Cc1cn(C)c(=O)n(C2CCCCC2)c1=O.Cl.
What is the InChIKey of 3-cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione;hydrochloride?
The InChIKey is GGNFHYYJSQBWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2.ClH/c1-15(2)9-11-10-16(3)14(19)17(13(11)18)12-7-5-4-6-8-12;/h10,12H,4-9H2,1-3H3;1H.
What are the key properties of 3-cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione;hydrochloride?
3-cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione;hydrochloride has a molecular weight of 301.82 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 3041133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).