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

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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).