1-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine

C14H16ClN3 — CID 62745644

IUPAC1-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1c(C)nc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C14H16ClN3/c1-9-13(8-16-3)10(2)18-14(17-9)11-4-6-12(15)7-5-11/h4-7,16H,8H2,1-3H3
InChIKeyHJZPICIOTDEKQN-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.13
Rot. Bonds3

About 1-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine

1-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine (PubChem CID 62745644) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
PubChem CID62745644
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name1-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1c(C)nc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C14H16ClN3/c1-9-13(8-16-3)10(2)18-14(17-9)11-4-6-12(15)7-5-11/h4-7,16H,8H2,1-3H3
InChIKeyHJZPICIOTDEKQN-UHFFFAOYSA-N
XLogP3.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine 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

1-[4,6-dimethyl-2-(4-propan-2-ylphenyl)pyrimidin-5-yl]-N-methylmethanamine
CID 62744950
1-[2-(4-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 62744615
1-[2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]-N-methylmethanamine
CID 114245218
4-chloro-2-(4-chlorophenyl)-5,6-dimethylpyrimidine
CID 60996954
1-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride
CID 172876680
1-[2-[(2,4-dichlorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 62744094
N-[[2-(3-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 63089028
1-[2-(2-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 62944595
2-[4,6-dimethyl-2-(4-propan-2-ylphenyl)pyrimidin-5-yl]-N-methylethanamine
CID 62745627
4-[5-(ethylaminomethyl)-4,6-dimethylpyrimidin-2-yl]phenol
CID 136889467
1-[4-(4-chlorophenyl)phenyl]-N-methylmethanamine
CID 11424756
1-(4,6-dimethyl-2-naphthalen-1-ylpyrimidin-5-yl)-N-methylmethanamine
CID 62744265

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine (CID 62745644) is 1-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine is CNCc1c(C)nc(-c2ccc(Cl)cc2)nc1C.
What is the InChIKey of 1-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is HJZPICIOTDEKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-9-13(8-16-3)10(2)18-14(17-9)11-4-6-12(15)7-5-11/h4-7,16H,8H2,1-3H3.
What are the key properties of 1-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine?
1-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 261.76 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 62745644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).