6-(difluoromethyl)-2-methyl-N-phenylpyrimidin-4-amine

C12H11F2N3 — CID 154882747

IUPAC6-(difluoromethyl)-2-methyl-N-phenylpyrimidin-4-amine
SMILESCc1nc(Nc2ccccc2)cc(C(F)F)n1
InChIInChI=1S/C12H11F2N3/c1-8-15-10(12(13)14)7-11(16-8)17-9-5-3-2-4-6-9/h2-7,12H,1H3,(H,15,16,17)
InChIKeyRKGDITFBNWJBIK-UHFFFAOYSA-N
MW235.24 g/mol
LogP3.47
Rot. Bonds3

About 6-(difluoromethyl)-2-methyl-N-phenylpyrimidin-4-amine

6-(difluoromethyl)-2-methyl-N-phenylpyrimidin-4-amine (PubChem CID 154882747) has the molecular formula C12H11F2N3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-methyl-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(difluoromethyl)-2-methyl-N-phenylpyrimidin-4-amine
PubChem CID154882747
Molecular FormulaC12H11F2N3
Molecular Weight235.24 g/mol
Exact Mass235.09
IUPAC Name6-(difluoromethyl)-2-methyl-N-phenylpyrimidin-4-amine
SMILESCc1nc(Nc2ccccc2)cc(C(F)F)n1
InChIInChI=1S/C12H11F2N3/c1-8-15-10(12(13)14)7-11(16-8)17-9-5-3-2-4-6-9/h2-7,12H,1H3,(H,15,16,17)
InChIKeyRKGDITFBNWJBIK-UHFFFAOYSA-N
XLogP3.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(difluoromethyl)-N-(2-fluorophenyl)-2-methylpyrimidin-4-amine
CID 154882758
6-(difluoromethyl)-N-(4-ethoxyphenyl)-2-methylpyrimidin-4-amine
CID 154882784
2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876865
6-(difluoromethyl)-N-(2-ethoxyphenyl)-2-methylpyrimidin-4-amine
CID 154882785
2-methyl-4-N-(3-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876864
4-N-(4-bromophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876895
6-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-2-methylpyrimidin-4-amine
CID 154882766
4-N-(3,4-dichlorophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876939
4-N-(2,3-dimethylphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876874
4-N,6-N-bis(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877864
N-(4-tert-butylphenyl)-2-methyl-6-phenylpyrimidin-4-amine
CID 9151407
2-methyl-6-N-pentyl-4-N-phenylpyrimidine-4,6-diamine
CID 112876247

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-methyl-N-phenylpyrimidin-4-amine?
The IUPAC name of 6-(difluoromethyl)-2-methyl-N-phenylpyrimidin-4-amine (CID 154882747) is 6-(difluoromethyl)-2-methyl-N-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-(difluoromethyl)-2-methyl-N-phenylpyrimidin-4-amine?
The canonical SMILES for 6-(difluoromethyl)-2-methyl-N-phenylpyrimidin-4-amine is Cc1nc(Nc2ccccc2)cc(C(F)F)n1.
What is the InChIKey of 6-(difluoromethyl)-2-methyl-N-phenylpyrimidin-4-amine?
The InChIKey is RKGDITFBNWJBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3/c1-8-15-10(12(13)14)7-11(16-8)17-9-5-3-2-4-6-9/h2-7,12H,1H3,(H,15,16,17).
What are the key properties of 6-(difluoromethyl)-2-methyl-N-phenylpyrimidin-4-amine?
6-(difluoromethyl)-2-methyl-N-phenylpyrimidin-4-amine has a molecular weight of 235.24 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-methyl-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 154882747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).