4-methyl-N-phenyl-6-(trifluoromethyl)pyrimidin-2-amine

C12H10F3N3 — CID 20585928

IUPAC4-methyl-N-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(C(F)(F)F)nc(Nc2ccccc2)n1
InChIInChI=1S/C12H10F3N3/c1-8-7-10(12(13,14)15)18-11(16-8)17-9-5-3-2-4-6-9/h2-7H,1H3,(H,16,17,18)
InChIKeyDNRMOPZIWXICON-UHFFFAOYSA-N
MW253.23 g/mol
LogP3.55
Rot. Bonds2

About 4-methyl-N-phenyl-6-(trifluoromethyl)pyrimidin-2-amine

4-methyl-N-phenyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 20585928) has the molecular formula C12H10F3N3 and a molecular weight of 253.23 g/mol. Its IUPAC name is 4-methyl-N-phenyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID20585928
Molecular FormulaC12H10F3N3
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC Name4-methyl-N-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(C(F)(F)F)nc(Nc2ccccc2)n1
InChIInChI=1S/C12H10F3N3/c1-8-7-10(12(13,14)15)18-11(16-8)17-9-5-3-2-4-6-9/h2-7H,1H3,(H,16,17,18)
InChIKeyDNRMOPZIWXICON-UHFFFAOYSA-N
XLogP3.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112926975
4-cycloprop-2-yn-1-yl-6-methyl-N-phenylpyrimidin-2-amine
CID 142647855
6-methyl-4-N-phenyl-2-N-pyridin-4-ylpyrimidine-2,4-diamine
CID 117083923
4-[(Z)-2-chloroprop-1-enyl]-6-methyl-N-phenylpyrimidin-2-amine
CID 100952374
2-N-(3-fluorophenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112926861
4-methyl-6-(5-methylthiophen-2-yl)-N-phenylpyrimidin-2-amine
CID 14347206
4-N-cyclopropyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 83718542
4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;methane
CID 157311449
N,2-dimethyl-6-(trifluoromethyl)pyridin-4-amine
CID 82404221
2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334524
4-N-benzyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 5276763
(2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanoic acid
CID 122049909

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-phenyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-phenyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 20585928) is 4-methyl-N-phenyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-phenyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-phenyl-6-(trifluoromethyl)pyrimidin-2-amine is Cc1cc(C(F)(F)F)nc(Nc2ccccc2)n1.
What is the InChIKey of 4-methyl-N-phenyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is DNRMOPZIWXICON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3/c1-8-7-10(12(13,14)15)18-11(16-8)17-9-5-3-2-4-6-9/h2-7H,1H3,(H,16,17,18).
What are the key properties of 4-methyl-N-phenyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-methyl-N-phenyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 253.23 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-phenyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 20585928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).