N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-phenylpyrimidin-4-amine

C19H16F3N3O — CID 162656789

IUPACN-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-phenylpyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(C)nc(-c3ccccc3)n2)cc1C(F)(F)F
InChIInChI=1S/C19H16F3N3O/c1-12-10-17(25-18(23-12)13-6-4-3-5-7-13)24-14-8-9-16(26-2)15(11-14)19(20,21)22/h3-11H,1-2H3,(H,23,24,25)
InChIKeyOXAJNGNEEZUPQQ-UHFFFAOYSA-N
MW359.35 g/mol
LogP5.22
Rot. Bonds4

About N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-phenylpyrimidin-4-amine

N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-phenylpyrimidin-4-amine (PubChem CID 162656789) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-phenylpyrimidin-4-amine
PubChem CID162656789
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC NameN-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-phenylpyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(C)nc(-c3ccccc3)n2)cc1C(F)(F)F
InChIInChI=1S/C19H16F3N3O/c1-12-10-17(25-18(23-12)13-6-4-3-5-7-13)24-14-8-9-16(26-2)15(11-14)19(20,21)22/h3-11H,1-2H3,(H,23,24,25)
InChIKeyOXAJNGNEEZUPQQ-UHFFFAOYSA-N
XLogP5.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.35
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-phenylpyrimidin-4-amine?
The IUPAC name of N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-phenylpyrimidin-4-amine (CID 162656789) is N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-phenylpyrimidin-4-amine?
The canonical SMILES for N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-phenylpyrimidin-4-amine is COc1ccc(Nc2cc(C)nc(-c3ccccc3)n2)cc1C(F)(F)F.
What is the InChIKey of N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-phenylpyrimidin-4-amine?
The InChIKey is OXAJNGNEEZUPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c1-12-10-17(25-18(23-12)13-6-4-3-5-7-13)24-14-8-9-16(26-2)15(11-14)19(20,21)22/h3-11H,1-2H3,(H,23,24,25).
What are the key properties of N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-phenylpyrimidin-4-amine?
N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-phenylpyrimidin-4-amine has a molecular weight of 359.35 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 162656789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).