[2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]methanamine

C12H11ClFN3 — CID 114205926

IUPAC[2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]methanamine
SMILESCc1nc(-c2ccc(F)c(Cl)c2)ncc1CN
InChIInChI=1S/C12H11ClFN3/c1-7-9(5-15)6-16-12(17-7)8-2-3-11(14)10(13)4-8/h2-4,6H,5,15H2,1H3
InChIKeyPZWZMJDVGUNCTG-UHFFFAOYSA-N
MW251.69 g/mol
LogP2.70
Rot. Bonds2

About [2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]methanamine

[2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]methanamine (PubChem CID 114205926) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is [2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]methanamine
PubChem CID114205926
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC Name[2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]methanamine
SMILESCc1nc(-c2ccc(F)c(Cl)c2)ncc1CN
InChIInChI=1S/C12H11ClFN3/c1-7-9(5-15)6-16-12(17-7)8-2-3-11(14)10(13)4-8/h2-4,6H,5,15H2,1H3
InChIKeyPZWZMJDVGUNCTG-UHFFFAOYSA-N
XLogP2.70
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 63088370
1-[2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol
CID 55182363
2-[2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]ethanamine
CID 63087706
2-(4-chlorophenyl)-5-ethyl-4-methylpyrimidine
CID 129051941
5-(aminomethyl)-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 114016280
[2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]methanol
CID 63086692
5-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine
CID 65286120
[2-(3-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine
CID 55181402
N-[[2-(3-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 63089028
2-(3-chloro-4-fluorophenyl)-4-cyclopropylpyrimidin-5-amine
CID 114207231
2-[2-(3-chloro-4-fluorophenyl)-4,6-diethylpyrimidin-5-yl]ethanamine
CID 79220557
[2-(2,5-difluorophenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83188778

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]methanamine?
The IUPAC name of [2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]methanamine (CID 114205926) is [2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]methanamine is Cc1nc(-c2ccc(F)c(Cl)c2)ncc1CN.
What is the InChIKey of [2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]methanamine?
The InChIKey is PZWZMJDVGUNCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3/c1-7-9(5-15)6-16-12(17-7)8-2-3-11(14)10(13)4-8/h2-4,6H,5,15H2,1H3.
What are the key properties of [2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]methanamine?
[2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]methanamine has a molecular weight of 251.69 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]methanamine is sourced from PubChem (CID 114205926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).