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

C14H16FN3 — CID 80936143

IUPAC2-ethyl-6-(2-fluoro-5-methylphenyl)-N-methylpyrimidin-4-amine
SMILESCCc1nc(NC)cc(-c2cc(C)ccc2F)n1
InChIInChI=1S/C14H16FN3/c1-4-13-17-12(8-14(16-3)18-13)10-7-9(2)5-6-11(10)15/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyJYMHTEQUFSESHE-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.20
Rot. Bonds3

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

2-ethyl-6-(2-fluoro-5-methylphenyl)-N-methylpyrimidin-4-amine (PubChem CID 80936143) 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)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-(2-fluoro-5-methylphenyl)-N-methylpyrimidin-4-amine
PubChem CID80936143
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name2-ethyl-6-(2-fluoro-5-methylphenyl)-N-methylpyrimidin-4-amine
SMILESCCc1nc(NC)cc(-c2cc(C)ccc2F)n1
InChIInChI=1S/C14H16FN3/c1-4-13-17-12(8-14(16-3)18-13)10-7-9(2)5-6-11(10)15/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyJYMHTEQUFSESHE-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-(2,6-difluoro-3-methylphenyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 82827615
6-(2,4-difluorophenyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80935782
6-(2,5-difluorophenyl)-N,2-diethylpyrimidin-4-amine
CID 80936764
6-(2-fluoro-5-methylphenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716533
6-(5-bromo-2-fluorophenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 80946081
2-ethyl-N-methyl-6-(4-methyl-3-pyridinyl)pyrimidin-4-amine
CID 80935966
6-(2,4-dimethylphenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 80945080
6-(5-chloro-2-methoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80935773
2-ethyl-N-methyl-6-naphthalen-1-ylpyrimidin-4-amine
CID 80936663
2-ethyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine
CID 80936849
4-N-[(3,4-difluorophenyl)methyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80934939
6-(2,6-difluoro-3-methylphenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 82822927

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(2-fluoro-5-methylphenyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-(2-fluoro-5-methylphenyl)-N-methylpyrimidin-4-amine (CID 80936143) is 2-ethyl-6-(2-fluoro-5-methylphenyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-(2-fluoro-5-methylphenyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-(2-fluoro-5-methylphenyl)-N-methylpyrimidin-4-amine is CCc1nc(NC)cc(-c2cc(C)ccc2F)n1.
What is the InChIKey of 2-ethyl-6-(2-fluoro-5-methylphenyl)-N-methylpyrimidin-4-amine?
The InChIKey is JYMHTEQUFSESHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-4-13-17-12(8-14(16-3)18-13)10-7-9(2)5-6-11(10)15/h5-8H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 2-ethyl-6-(2-fluoro-5-methylphenyl)-N-methylpyrimidin-4-amine?
2-ethyl-6-(2-fluoro-5-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 2-ethyl-6-(2-fluoro-5-methylphenyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80936143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).