2-[3-(difluoromethyl)phenyl]-6-methylpyrimidin-4-amine

C12H11F2N3 — CID 113329089

IUPAC2-[3-(difluoromethyl)phenyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(-c2cccc(C(F)F)c2)n1
InChIInChI=1S/C12H11F2N3/c1-7-5-10(15)17-12(16-7)9-4-2-3-8(6-9)11(13)14/h2-6,11H,1H3,(H2,15,16,17)
InChIKeyXCDHXPPYHSKWBT-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.97
Rot. Bonds2

About 2-[3-(difluoromethyl)phenyl]-6-methylpyrimidin-4-amine

2-[3-(difluoromethyl)phenyl]-6-methylpyrimidin-4-amine (PubChem CID 113329089) has the molecular formula C12H11F2N3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)phenyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[3-(difluoromethyl)phenyl]-6-methylpyrimidin-4-amine
PubChem CID113329089
Molecular FormulaC12H11F2N3
Molecular Weight235.24 g/mol
Exact Mass235.09
IUPAC Name2-[3-(difluoromethyl)phenyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(-c2cccc(C(F)F)c2)n1
InChIInChI=1S/C12H11F2N3/c1-7-5-10(15)17-12(16-7)9-4-2-3-8(6-9)11(13)14/h2-6,11H,1H3,(H2,15,16,17)
InChIKeyXCDHXPPYHSKWBT-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(difluoromethyl)phenyl]-6-propan-2-ylpyrimidin-4-amine
CID 115528416
2-[3-(difluoromethyl)phenyl]pyrimidin-4-amine
CID 115528420
2-(3-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 62192962
2-[3-(difluoromethyl)phenyl]pyrimidin-5-amine
CID 115527383
4,6-dichloro-2-[3-(difluoromethyl)phenyl]-5-propan-2-ylpyrimidine
CID 115527508
[2-[3-(difluoromethyl)phenyl]-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 115528611
3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)aniline
CID 55205286
2-[3-(difluoromethyl)phenyl]-5-iodo-6-propylpyrimidin-4-amine
CID 115528487
2-(4-bromo-3-methylphenyl)-6-methylpyrimidin-4-amine
CID 66479676
6-cyclopropyl-2-[3-(difluoromethyl)phenyl]-5-iodopyrimidin-4-amine
CID 115528554
4,6-dimethyl-2-(3-methylphenyl)pyrimidine
CID 55264289
2-(3-chlorophenyl)-6-propan-2-ylpyrimidin-4-amine
CID 62191035

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)phenyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[3-(difluoromethyl)phenyl]-6-methylpyrimidin-4-amine (CID 113329089) is 2-[3-(difluoromethyl)phenyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[3-(difluoromethyl)phenyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[3-(difluoromethyl)phenyl]-6-methylpyrimidin-4-amine is Cc1cc(N)nc(-c2cccc(C(F)F)c2)n1.
What is the InChIKey of 2-[3-(difluoromethyl)phenyl]-6-methylpyrimidin-4-amine?
The InChIKey is XCDHXPPYHSKWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3/c1-7-5-10(15)17-12(16-7)9-4-2-3-8(6-9)11(13)14/h2-6,11H,1H3,(H2,15,16,17).
What are the key properties of 2-[3-(difluoromethyl)phenyl]-6-methylpyrimidin-4-amine?
2-[3-(difluoromethyl)phenyl]-6-methylpyrimidin-4-amine has a molecular weight of 235.24 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)phenyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 113329089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).