5-methyl-2-propyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine

C15H16F3N3 — CID 80978112

IUPAC5-methyl-2-propyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C15H16F3N3/c1-3-6-12-20-13(9(2)14(19)21-12)10-7-4-5-8-11(10)15(16,17)18/h4-5,7-8H,3,6H2,1-2H3,(H2,19,20,21)
InChIKeyYFPDJWQFWPMKHS-UHFFFAOYSA-N
MW295.31 g/mol
LogP4.01
Rot. Bonds3

About 5-methyl-2-propyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine

5-methyl-2-propyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 80978112) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 5-methyl-2-propyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-2-propyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID80978112
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name5-methyl-2-propyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C15H16F3N3/c1-3-6-12-20-13(9(2)14(19)21-12)10-7-4-5-8-11(10)15(16,17)18/h4-5,7-8H,3,6H2,1-2H3,(H2,19,20,21)
InChIKeyYFPDJWQFWPMKHS-UHFFFAOYSA-N
XLogP4.01
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-propyl-6-quinolin-8-ylpyrimidin-4-amine
CID 81227897
6-(4-fluorophenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80975052
3-ethyl-2-propyl-5-[2-(trifluoromethyl)phenyl]imidazol-4-amine
CID 62220663
6-(4-tert-butylphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80977843
6-(2,3-dihydro-1-benzofuran-7-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 114747241
5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 62202485
5-methyl-6-phenyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 104846675
5-methyl-2-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine
CID 103341932
6-(4-methoxy-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80976055
6-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 23311136
6-(3-bromo-2,6-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 106943797
2-ethyl-5-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80988712

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 5-methyl-2-propyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 80978112) is 5-methyl-2-propyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-2-propyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 5-methyl-2-propyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is CCCc1nc(N)c(C)c(-c2ccccc2C(F)(F)F)n1.
What is the InChIKey of 5-methyl-2-propyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is YFPDJWQFWPMKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-3-6-12-20-13(9(2)14(19)21-12)10-7-4-5-8-11(10)15(16,17)18/h4-5,7-8H,3,6H2,1-2H3,(H2,19,20,21).
What are the key properties of 5-methyl-2-propyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
5-methyl-2-propyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 295.31 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 80978112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).