1-(4-chloro-6-phenylpyrimidin-2-yl)-N,N-dimethylmethanamine

C13H14ClN3 — CID 79078383

IUPAC1-(4-chloro-6-phenylpyrimidin-2-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1nc(Cl)cc(-c2ccccc2)n1
InChIInChI=1S/C13H14ClN3/c1-17(2)9-13-15-11(8-12(14)16-13)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3
InChIKeyWBZSKPUMVMWSRZ-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.86
Rot. Bonds3

About 1-(4-chloro-6-phenylpyrimidin-2-yl)-N,N-dimethylmethanamine

1-(4-chloro-6-phenylpyrimidin-2-yl)-N,N-dimethylmethanamine (PubChem CID 79078383) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 1-(4-chloro-6-phenylpyrimidin-2-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-6-phenylpyrimidin-2-yl)-N,N-dimethylmethanamine
PubChem CID79078383
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name1-(4-chloro-6-phenylpyrimidin-2-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1nc(Cl)cc(-c2ccccc2)n1
InChIInChI=1S/C13H14ClN3/c1-17(2)9-13-15-11(8-12(14)16-13)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3
InChIKeyWBZSKPUMVMWSRZ-UHFFFAOYSA-N
XLogP2.86
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-phenyl-2-(2-phenylethyl)pyrimidine
CID 61385533
2,4-dichloro-6-phenylpyrimidine;ethane
CID 143206221
4-chloro-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158883215
4-chloro-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 146868776
2-benzylsulfanyl-4-chloro-6-phenylpyrimidine
CID 16642955
4-chloro-2-(4-chlorophenyl)-6-phenylpyrimidine
CID 582047
4-chloro-6-(3-ethylphenyl)-2-phenylpyrimidine
CID 115915027
4-chloro-2-(2-methylcyclopropyl)-6-phenylpyrimidine
CID 65422322
N'-[(7-chloro-2-phenylquinolin-4-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine;hydrochloride
CID 86272158
4-chloro-2-(3-methoxypentan-3-yl)-6-phenylpyrimidine
CID 116745666
4-chloro-6-(3-methylphenyl)-2-propylpyrimidine
CID 80946541
4-chloro-2-(2,2-dimethylcyclopropyl)-6-phenylpyrimidine
CID 107925396

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-phenylpyrimidin-2-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(4-chloro-6-phenylpyrimidin-2-yl)-N,N-dimethylmethanamine (CID 79078383) is 1-(4-chloro-6-phenylpyrimidin-2-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(4-chloro-6-phenylpyrimidin-2-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(4-chloro-6-phenylpyrimidin-2-yl)-N,N-dimethylmethanamine is CN(C)Cc1nc(Cl)cc(-c2ccccc2)n1.
What is the InChIKey of 1-(4-chloro-6-phenylpyrimidin-2-yl)-N,N-dimethylmethanamine?
The InChIKey is WBZSKPUMVMWSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-17(2)9-13-15-11(8-12(14)16-13)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3.
What are the key properties of 1-(4-chloro-6-phenylpyrimidin-2-yl)-N,N-dimethylmethanamine?
1-(4-chloro-6-phenylpyrimidin-2-yl)-N,N-dimethylmethanamine has a molecular weight of 247.73 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-phenylpyrimidin-2-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 79078383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).