4-(3-methoxyphenyl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine

C20H18F3N3O — CID 15987741

IUPAC4-(3-methoxyphenyl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1cccc(-c2cc(C(F)(F)F)nc(NCCc3ccccc3)n2)c1
InChIInChI=1S/C20H18F3N3O/c1-27-16-9-5-8-15(12-16)17-13-18(20(21,22)23)26-19(25-17)24-11-10-14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H,24,25,26)
InChIKeyROSZPIOJDCGLMO-UHFFFAOYSA-N
MW373.38 g/mol
LogP4.83
Rot. Bonds6

About 4-(3-methoxyphenyl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine

4-(3-methoxyphenyl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 15987741) has the molecular formula C20H18F3N3O and a molecular weight of 373.38 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID15987741
Molecular FormulaC20H18F3N3O
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name4-(3-methoxyphenyl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1cccc(-c2cc(C(F)(F)F)nc(NCCc3ccccc3)n2)c1
InChIInChI=1S/C20H18F3N3O/c1-27-16-9-5-8-15(12-16)17-13-18(20(21,22)23)26-19(25-17)24-11-10-14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H,24,25,26)
InChIKeyROSZPIOJDCGLMO-UHFFFAOYSA-N
XLogP4.83
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(3-methoxyphenyl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 15987741) is 4-(3-methoxyphenyl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-methoxyphenyl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-methoxyphenyl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine is COc1cccc(-c2cc(C(F)(F)F)nc(NCCc3ccccc3)n2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is ROSZPIOJDCGLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O/c1-27-16-9-5-8-15(12-16)17-13-18(20(21,22)23)26-19(25-17)24-11-10-14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H,24,25,26).
What are the key properties of 4-(3-methoxyphenyl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(3-methoxyphenyl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 373.38 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 15987741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).