5-ethyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine

C14H16FN3 — CID 115502644

IUPAC5-ethyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1-c1ccc(C)c(F)c1
InChIInChI=1S/C14H16FN3/c1-4-11-13(17-8-18-14(11)16-3)10-6-5-9(2)12(15)7-10/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyAARIFQWCZBGSME-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.20
Rot. Bonds3

About 5-ethyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine

5-ethyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine (PubChem CID 115502644) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 5-ethyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine
PubChem CID115502644
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name5-ethyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1-c1ccc(C)c(F)c1
InChIInChI=1S/C14H16FN3/c1-4-11-13(17-8-18-14(11)16-3)10-6-5-9(2)12(15)7-10/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyAARIFQWCZBGSME-UHFFFAOYSA-N
XLogP3.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-chloro-5-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine
CID 113324856
6-(3-chloro-4-methylphenyl)-5-ethyl-N-propylpyrimidin-4-amine
CID 115504253
6-(3-fluoro-4-methylphenyl)-5-nitro-N-propylpyrimidin-4-amine
CID 115502718
6-(3-fluoro-4-methylphenyl)-N,2,5-trimethylpyrimidin-4-amine
CID 113324439
5-ethyl-N-methyl-6-(3-methyl-4-pyridinyl)pyrimidin-4-amine
CID 66277968
6-[3-fluoro-4-(trifluoromethyl)phenyl]-N,5-dimethylpyrimidin-4-amine
CID 107290483
6-(3-bromo-2-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine
CID 106646843
5-ethyl-6-(2-methoxy-4,6-dimethylphenyl)-N-methylpyrimidin-4-amine
CID 106681496
6-(2,5-difluorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
CID 80885129
5-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 80785119
6-(2,5-dimethylphenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 80863980
4-N-(2,6-difluoro-3-methylphenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 82803367

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine (CID 115502644) is 5-ethyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine is CCc1c(NC)ncnc1-c1ccc(C)c(F)c1.
What is the InChIKey of 5-ethyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine?
The InChIKey is AARIFQWCZBGSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-4-11-13(17-8-18-14(11)16-3)10-6-5-9(2)12(15)7-10/h5-8H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 5-ethyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine?
5-ethyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine has a molecular weight of 245.30 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 115502644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).