2-ethyl-6-(2-fluoro-5-methylphenyl)-5-methylpyrimidin-4-amine

C14H16FN3 — CID 80974700

IUPAC2-ethyl-6-(2-fluoro-5-methylphenyl)-5-methylpyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(-c2cc(C)ccc2F)n1
InChIInChI=1S/C14H16FN3/c1-4-12-17-13(9(3)14(16)18-12)10-7-8(2)5-6-11(10)15/h5-7H,4H2,1-3H3,(H2,16,17,18)
InChIKeyAVZKOTWXPCFNKR-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.04
Rot. Bonds2

About 2-ethyl-6-(2-fluoro-5-methylphenyl)-5-methylpyrimidin-4-amine

2-ethyl-6-(2-fluoro-5-methylphenyl)-5-methylpyrimidin-4-amine (PubChem CID 80974700) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-ethyl-6-(2-fluoro-5-methylphenyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-(2-fluoro-5-methylphenyl)-5-methylpyrimidin-4-amine
PubChem CID80974700
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name2-ethyl-6-(2-fluoro-5-methylphenyl)-5-methylpyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(-c2cc(C)ccc2F)n1
InChIInChI=1S/C14H16FN3/c1-4-12-17-13(9(3)14(16)18-12)10-7-8(2)5-6-11(10)15/h5-7H,4H2,1-3H3,(H2,16,17,18)
InChIKeyAVZKOTWXPCFNKR-UHFFFAOYSA-N
XLogP3.04
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(5-bromo-2-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80976858
6-(2,3-difluoro-4-methylphenyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 107514579
2-ethyl-6-(5-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine
CID 80977034
4-chloro-6-(2-fluoro-5-methylphenyl)-5-methyl-2-propylpyrimidine
CID 80975531
2-ethyl-5-methyl-6-pyridin-4-ylpyrimidin-4-amine
CID 80975340
2-ethyl-5-methyl-6-pyrimidin-5-ylpyrimidin-4-amine
CID 80975669
2-ethyl-6-(2-fluoro-5-methylphenyl)-N-methylpyrimidin-4-amine
CID 80936143
6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 106882792
4-chloro-6-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrimidine
CID 80975131
6-(4-ethoxyphenyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80975228
4-N-(2,5-difluorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80976181
2-ethyl-6-isoquinolin-8-yl-5-methylpyrimidin-4-amine
CID 103144327

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(2-fluoro-5-methylphenyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-(2-fluoro-5-methylphenyl)-5-methylpyrimidin-4-amine (CID 80974700) is 2-ethyl-6-(2-fluoro-5-methylphenyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-(2-fluoro-5-methylphenyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-(2-fluoro-5-methylphenyl)-5-methylpyrimidin-4-amine is CCc1nc(N)c(C)c(-c2cc(C)ccc2F)n1.
What is the InChIKey of 2-ethyl-6-(2-fluoro-5-methylphenyl)-5-methylpyrimidin-4-amine?
The InChIKey is AVZKOTWXPCFNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-4-12-17-13(9(3)14(16)18-12)10-7-8(2)5-6-11(10)15/h5-7H,4H2,1-3H3,(H2,16,17,18).
What are the key properties of 2-ethyl-6-(2-fluoro-5-methylphenyl)-5-methylpyrimidin-4-amine?
2-ethyl-6-(2-fluoro-5-methylphenyl)-5-methylpyrimidin-4-amine has a molecular weight of 245.30 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2-fluoro-5-methylphenyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80974700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).