4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine

C20H18F3N3O2 — CID 4578246

IUPAC4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1ccc(CNc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2)cc1
InChIInChI=1S/C20H18F3N3O2/c1-27-15-7-3-13(4-8-15)12-24-19-25-17(11-18(26-19)20(21,22)23)14-5-9-16(28-2)10-6-14/h3-11H,12H2,1-2H3,(H,24,25,26)
InChIKeyNDJZKBQXASXVAS-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.79
Rot. Bonds6

About 4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine

4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 4578246) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID4578246
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1ccc(CNc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2)cc1
InChIInChI=1S/C20H18F3N3O2/c1-27-15-7-3-13(4-8-15)12-24-19-25-17(11-18(26-19)20(21,22)23)14-5-9-16(28-2)10-6-14/h3-11H,12H2,1-2H3,(H,24,25,26)
InChIKeyNDJZKBQXASXVAS-UHFFFAOYSA-N
XLogP4.79
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine (CID 4578246) is 4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine is COc1ccc(CNc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is NDJZKBQXASXVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c1-27-15-7-3-13(4-8-15)12-24-19-25-17(11-18(26-19)20(21,22)23)14-5-9-16(28-2)10-6-14/h3-11H,12H2,1-2H3,(H,24,25,26).
What are the key properties of 4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine?
4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 389.38 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 4578246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).