6-(difluoromethyl)-N-(2-fluorophenyl)-2-methylpyrimidin-4-amine

C12H10F3N3 — CID 154882758

IUPAC6-(difluoromethyl)-N-(2-fluorophenyl)-2-methylpyrimidin-4-amine
SMILESCc1nc(Nc2ccccc2F)cc(C(F)F)n1
InChIInChI=1S/C12H10F3N3/c1-7-16-10(12(14)15)6-11(17-7)18-9-5-3-2-4-8(9)13/h2-6,12H,1H3,(H,16,17,18)
InChIKeyGNTPBYJWBRCEDR-UHFFFAOYSA-N
MW253.23 g/mol
LogP3.61
Rot. Bonds3

About 6-(difluoromethyl)-N-(2-fluorophenyl)-2-methylpyrimidin-4-amine

6-(difluoromethyl)-N-(2-fluorophenyl)-2-methylpyrimidin-4-amine (PubChem CID 154882758) has the molecular formula C12H10F3N3 and a molecular weight of 253.23 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-(2-fluorophenyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(difluoromethyl)-N-(2-fluorophenyl)-2-methylpyrimidin-4-amine
PubChem CID154882758
Molecular FormulaC12H10F3N3
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC Name6-(difluoromethyl)-N-(2-fluorophenyl)-2-methylpyrimidin-4-amine
SMILESCc1nc(Nc2ccccc2F)cc(C(F)F)n1
InChIInChI=1S/C12H10F3N3/c1-7-16-10(12(14)15)6-11(17-7)18-9-5-3-2-4-8(9)13/h2-6,12H,1H3,(H,16,17,18)
InChIKeyGNTPBYJWBRCEDR-UHFFFAOYSA-N
XLogP3.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-2,6-dimethylpyrimidin-4-amine
CID 16876812
6-(difluoromethyl)-2-methyl-N-phenylpyrimidin-4-amine
CID 154882747
4-N-(2-fluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80761101
6-(difluoromethyl)-N-(2-ethoxyphenyl)-2-methylpyrimidin-4-amine
CID 154882785
6-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-2-methylpyrimidin-4-amine
CID 154882766
6-N-(3,4-difluorophenyl)-4-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877862
6-N-(2-fluorophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872105
4-N-(2-fluorophenyl)-2-methyl-6-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112877027
4-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112877814
4-N-cyclohexyl-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112869068
6-(2-fluoroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360683
4-N-(2-fluorophenyl)-6-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872510

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-(2-fluorophenyl)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(difluoromethyl)-N-(2-fluorophenyl)-2-methylpyrimidin-4-amine (CID 154882758) is 6-(difluoromethyl)-N-(2-fluorophenyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(difluoromethyl)-N-(2-fluorophenyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(difluoromethyl)-N-(2-fluorophenyl)-2-methylpyrimidin-4-amine is Cc1nc(Nc2ccccc2F)cc(C(F)F)n1.
What is the InChIKey of 6-(difluoromethyl)-N-(2-fluorophenyl)-2-methylpyrimidin-4-amine?
The InChIKey is GNTPBYJWBRCEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3/c1-7-16-10(12(14)15)6-11(17-7)18-9-5-3-2-4-8(9)13/h2-6,12H,1H3,(H,16,17,18).
What are the key properties of 6-(difluoromethyl)-N-(2-fluorophenyl)-2-methylpyrimidin-4-amine?
6-(difluoromethyl)-N-(2-fluorophenyl)-2-methylpyrimidin-4-amine has a molecular weight of 253.23 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-(2-fluorophenyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 154882758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).