1-[2-(2-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine

C12H12ClN3 — CID 62756584

IUPAC1-[2-(2-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(-c2ccccc2Cl)nc1
InChIInChI=1S/C12H12ClN3/c1-14-6-9-7-15-12(16-8-9)10-4-2-3-5-11(10)13/h2-5,7-8,14H,6H2,1H3
InChIKeyBESWEIAUQBVQFE-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.52
Rot. Bonds3

About 1-[2-(2-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine

1-[2-(2-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine (PubChem CID 62756584) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine
PubChem CID62756584
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name1-[2-(2-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(-c2ccccc2Cl)nc1
InChIInChI=1S/C12H12ClN3/c1-14-6-9-7-15-12(16-8-9)10-4-2-3-5-11(10)13/h2-5,7-8,14H,6H2,1H3
InChIKeyBESWEIAUQBVQFE-UHFFFAOYSA-N
XLogP2.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine (CID 62756584) is 1-[2-(2-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine is CNCc1cnc(-c2ccccc2Cl)nc1.
What is the InChIKey of 1-[2-(2-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is BESWEIAUQBVQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-14-6-9-7-15-12(16-8-9)10-4-2-3-5-11(10)13/h2-5,7-8,14H,6H2,1H3.
What are the key properties of 1-[2-(2-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine?
1-[2-(2-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 233.70 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 62756584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).