1-[2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]-N-methylmethanamine

C13H14ClN3 — CID 114245218

IUPAC1-[2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]-N-methylmethanamine
SMILESCNCc1nc(-c2ccc(Cl)cc2)ncc1C
InChIInChI=1S/C13H14ClN3/c1-9-7-16-13(17-12(9)8-15-2)10-3-5-11(14)6-4-10/h3-7,15H,8H2,1-2H3
InChIKeyGYZGFCDWARJJQS-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.82
Rot. Bonds3

About 1-[2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]-N-methylmethanamine

1-[2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]-N-methylmethanamine (PubChem CID 114245218) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]-N-methylmethanamine
PubChem CID114245218
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name1-[2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]-N-methylmethanamine
SMILESCNCc1nc(-c2ccc(Cl)cc2)ncc1C
InChIInChI=1S/C13H14ClN3/c1-9-7-16-13(17-12(9)8-15-2)10-3-5-11(14)6-4-10/h3-7,15H,8H2,1-2H3
InChIKeyGYZGFCDWARJJQS-UHFFFAOYSA-N
XLogP2.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 62745644
2-(4-chlorophenyl)-5-ethyl-4-methylpyrimidine
CID 129051941
4-ethyl-5-methyl-2-phenylpyrimidine
CID 150383613
N'-[2-(4-chlorophenyl)-4-methylpyrimidin-5-yl]ethane-1,2-diamine
CID 117212352
4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine
CID 88856160
1-[4-(4-chlorophenyl)phenyl]-N-methylmethanamine
CID 11424756
ethyl 2-(4-chlorophenyl)-4-propylpyrimidine-5-carboxylate
CID 102972636
1-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride
CID 172876680
2,5-bis(4-chlorophenyl)pyrimidine
CID 174829334
N-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62745885
4-(bromomethyl)-5-methyl-2-(3,4,5-trifluorophenyl)pyrimidine
CID 114245098
carbon dioxide;4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine
CID 159124020

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]-N-methylmethanamine (CID 114245218) is 1-[2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]-N-methylmethanamine is CNCc1nc(-c2ccc(Cl)cc2)ncc1C.
What is the InChIKey of 1-[2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]-N-methylmethanamine?
The InChIKey is GYZGFCDWARJJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-9-7-16-13(17-12(9)8-15-2)10-3-5-11(14)6-4-10/h3-7,15H,8H2,1-2H3.
What are the key properties of 1-[2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]-N-methylmethanamine?
1-[2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]-N-methylmethanamine has a molecular weight of 247.73 g/mol, XLogP of 2.82, 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)-5-methylpyrimidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 114245218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).