2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]-N-methylethanamine

C14H16FN3 — CID 116897750

IUPAC2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]-N-methylethanamine
SMILESCNCCc1nccc(-c2ccc(F)c(C)c2)n1
InChIInChI=1S/C14H16FN3/c1-10-9-11(3-4-12(10)15)13-5-8-17-14(18-13)6-7-16-2/h3-5,8-9,16H,6-7H2,1-2H3
InChIKeyNLIPBMLNGFAAHP-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.35
Rot. Bonds4

About 2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]-N-methylethanamine

2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]-N-methylethanamine (PubChem CID 116897750) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]-N-methylethanamine
PubChem CID116897750
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]-N-methylethanamine
SMILESCNCCc1nccc(-c2ccc(F)c(C)c2)n1
InChIInChI=1S/C14H16FN3/c1-10-9-11(3-4-12(10)15)13-5-8-17-14(18-13)6-7-16-2/h3-5,8-9,16H,6-7H2,1-2H3
InChIKeyNLIPBMLNGFAAHP-UHFFFAOYSA-N
XLogP2.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloroethyl)-4-(4-fluoro-3-methylphenyl)pyrimidine
CID 116899332
N-methyl-2-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]ethanamine
CID 116897785
N-methyl-2-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]ethanamine
CID 116897788
2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]-N-methylethanamine
CID 116897787
2-[4-(3,4-dimethylphenyl)pyrimidin-2-yl]ethanol
CID 116899537
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine
CID 82290112
N-ethyl-6-(4-fluoro-3-methylphenyl)-2-propylpyrimidin-4-amine
CID 80946069
4-[4-(3,4-difluorophenyl)pyrimidin-2-yl]butan-2-one
CID 116901657
2-[4-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]ethanethiol
CID 116900458
2-[4-(4-ethoxy-3-methylphenyl)pyrimidin-2-yl]ethanamine
CID 96664975
2-[4-(3,4-dimethylphenyl)pyrimidin-2-yl]acetonitrile
CID 116900946
2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]butan-1-amine
CID 116903120

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]-N-methylethanamine?
The IUPAC name of 2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]-N-methylethanamine (CID 116897750) is 2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]-N-methylethanamine is CNCCc1nccc(-c2ccc(F)c(C)c2)n1.
What is the InChIKey of 2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]-N-methylethanamine?
The InChIKey is NLIPBMLNGFAAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-10-9-11(3-4-12(10)15)13-5-8-17-14(18-13)6-7-16-2/h3-5,8-9,16H,6-7H2,1-2H3.
What are the key properties of 2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]-N-methylethanamine?
2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]-N-methylethanamine has a molecular weight of 245.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]-N-methylethanamine is sourced from PubChem (CID 116897750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).