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

C14H15ClFN3 — CID 62944595

IUPAC1-[2-(2-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1c(C)nc(-c2ccc(F)cc2Cl)nc1C
InChIInChI=1S/C14H15ClFN3/c1-8-12(7-17-3)9(2)19-14(18-8)11-5-4-10(16)6-13(11)15/h4-6,17H,7H2,1-3H3
InChIKeyQTFZGUZLGGBRKZ-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.27
Rot. Bonds3

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

1-[2-(2-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine (PubChem CID 62944595) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 1-[2-(2-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
PubChem CID62944595
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name1-[2-(2-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1c(C)nc(-c2ccc(F)cc2Cl)nc1C
InChIInChI=1S/C14H15ClFN3/c1-8-12(7-17-3)9(2)19-14(18-8)11-5-4-10(16)6-13(11)15/h4-6,17H,7H2,1-3H3
InChIKeyQTFZGUZLGGBRKZ-UHFFFAOYSA-N
XLogP3.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 62944754
4-chloro-2-(2-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidine
CID 62944331
2,4-dichloro-6-(2-chloro-4-fluorophenyl)-1,3,5-triazine
CID 115504981
1-[2-[(2,4-difluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 64561232
2-(2-chloro-4-fluorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740085
1-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 62745644
1-[2-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 62744269
4-tert-butyl-6-chloro-2-(2-chloro-4-fluorophenyl)pyrimidine
CID 62946502
1-(4,6-dimethyl-2-naphthalen-1-ylpyrimidin-5-yl)-N-methylmethanamine
CID 62744265
3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 62944820
[6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]hydrazine
CID 62944421
1-[5-(2-chloro-4-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 54880706

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine (CID 62944595) is 1-[2-(2-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine is CNCc1c(C)nc(-c2ccc(F)cc2Cl)nc1C.
What is the InChIKey of 1-[2-(2-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is QTFZGUZLGGBRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-8-12(7-17-3)9(2)19-14(18-8)11-5-4-10(16)6-13(11)15/h4-6,17H,7H2,1-3H3.
What are the key properties of 1-[2-(2-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine?
1-[2-(2-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 279.75 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 62944595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).