6-(3,4-difluorophenyl)-2-ethylpyrimidin-4-amine

C12H11F2N3 — CID 80936673

IUPAC6-(3,4-difluorophenyl)-2-ethylpyrimidin-4-amine
SMILESCCc1nc(N)cc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H11F2N3/c1-2-12-16-10(6-11(15)17-12)7-3-4-8(13)9(14)5-7/h3-6H,2H2,1H3,(H2,15,16,17)
InChIKeyRKCBFHBFENASGP-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.57
Rot. Bonds2

About 6-(3,4-difluorophenyl)-2-ethylpyrimidin-4-amine

6-(3,4-difluorophenyl)-2-ethylpyrimidin-4-amine (PubChem CID 80936673) has the molecular formula C12H11F2N3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-2-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-2-ethylpyrimidin-4-amine
PubChem CID80936673
Molecular FormulaC12H11F2N3
Molecular Weight235.24 g/mol
Exact Mass235.09
IUPAC Name6-(3,4-difluorophenyl)-2-ethylpyrimidin-4-amine
SMILESCCc1nc(N)cc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H11F2N3/c1-2-12-16-10(6-11(15)17-12)7-3-4-8(13)9(14)5-7/h3-6H,2H2,1H3,(H2,15,16,17)
InChIKeyRKCBFHBFENASGP-UHFFFAOYSA-N
XLogP2.57
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3,4-difluorophenyl)-2-propylpyrimidin-4-amine
CID 80945275
6-(4-tert-butylphenyl)-2-ethylpyrimidin-4-amine
CID 80935518
6-(3-chloro-5-fluorophenyl)-2-ethylpyrimidin-4-amine
CID 113324875
6-[4-(dimethylamino)phenyl]-2-ethylpyrimidin-4-amine
CID 80936309
2-ethyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80935689
2-ethyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-amine
CID 175860521
4-(3,4-difluorophenyl)-6-methylpyrimidin-2-amine
CID 39819363
2-(chloromethyl)-4-(3,4-difluorophenyl)-6-methylpyrimidine
CID 116893696
2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734954
6-(3,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine
CID 90189196
5-(3,4-difluorophenyl)-2-ethylaniline
CID 82082698
2-ethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 102754278

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-2-ethylpyrimidin-4-amine?
The IUPAC name of 6-(3,4-difluorophenyl)-2-ethylpyrimidin-4-amine (CID 80936673) is 6-(3,4-difluorophenyl)-2-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-difluorophenyl)-2-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4-difluorophenyl)-2-ethylpyrimidin-4-amine is CCc1nc(N)cc(-c2ccc(F)c(F)c2)n1.
What is the InChIKey of 6-(3,4-difluorophenyl)-2-ethylpyrimidin-4-amine?
The InChIKey is RKCBFHBFENASGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3/c1-2-12-16-10(6-11(15)17-12)7-3-4-8(13)9(14)5-7/h3-6H,2H2,1H3,(H2,15,16,17).
What are the key properties of 6-(3,4-difluorophenyl)-2-ethylpyrimidin-4-amine?
6-(3,4-difluorophenyl)-2-ethylpyrimidin-4-amine has a molecular weight of 235.24 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-2-ethylpyrimidin-4-amine is sourced from PubChem (CID 80936673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).