(3-fluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine

C13H14FN3 — CID 107129090

IUPAC(3-fluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine
SMILESCc1cnc(C(N)c2ccc(C)c(F)c2)nc1
InChIInChI=1S/C13H14FN3/c1-8-6-16-13(17-7-8)12(15)10-4-3-9(2)11(14)5-10/h3-7,12H,15H2,1-2H3
InChIKeyQOPVXICYJTXIOL-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.28
Rot. Bonds2

About (3-fluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine

(3-fluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine (PubChem CID 107129090) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine
PubChem CID107129090
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name(3-fluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine
SMILESCc1cnc(C(N)c2ccc(C)c(F)c2)nc1
InChIInChI=1S/C13H14FN3/c1-8-6-16-13(17-7-8)12(15)10-4-3-9(2)11(14)5-10/h3-7,12H,15H2,1-2H3
InChIKeyQOPVXICYJTXIOL-UHFFFAOYSA-N
XLogP2.28
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanamine
CID 63156098
(3-fluoro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43109404
(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124203
(3-fluoro-4-methylphenyl)-pyridin-3-ylmethanamine
CID 60923509
(4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107996089
(5-ethyl-1,2,4-oxadiazol-3-yl)-(3-fluoro-4-methylphenyl)methanamine
CID 63647944
2,2-difluoro-1-(3-fluoro-4-methylphenyl)ethanamine
CID 80605936
(2-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107130353
(3-fluoro-4-methylphenyl)-quinoxalin-5-ylmethanamine
CID 107130474
1-(3-fluoro-4-methylphenyl)-3-methylbut-2-en-1-amine
CID 79190938
[3-(2-methylpropyl)phenyl]-(5-methylpyrimidin-2-yl)methanamine
CID 116545007
(2-chloro-4,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 115483749

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine?
The IUPAC name of (3-fluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine (CID 107129090) is (3-fluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine?
The canonical SMILES for (3-fluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine is Cc1cnc(C(N)c2ccc(C)c(F)c2)nc1.
What is the InChIKey of (3-fluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine?
The InChIKey is QOPVXICYJTXIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-8-6-16-13(17-7-8)12(15)10-4-3-9(2)11(14)5-10/h3-7,12H,15H2,1-2H3.
What are the key properties of (3-fluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine?
(3-fluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine has a molecular weight of 231.27 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine is sourced from PubChem (CID 107129090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).