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

C24H18F3N3O — CID 10295708

IUPAC6-(4-phenylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccccc1CNc1cc(Oc2ccc(-c3ccccc3)cc2)ncn1
InChIInChI=1S/C24H18F3N3O/c25-24(26,27)21-9-5-4-8-19(21)15-28-22-14-23(30-16-29-22)31-20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-14,16H,15H2,(H,28,29,30)
InChIKeyZSEGABZWQBYMOO-UHFFFAOYSA-N
MW421.42 g/mol
LogP6.57
Rot. Bonds6

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

6-(4-phenylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 10295708) has the molecular formula C24H18F3N3O and a molecular weight of 421.42 g/mol. Its IUPAC name is 6-(4-phenylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-phenylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
PubChem CID10295708
Molecular FormulaC24H18F3N3O
Molecular Weight421.42 g/mol
Exact Mass421.14
IUPAC Name6-(4-phenylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccccc1CNc1cc(Oc2ccc(-c3ccccc3)cc2)ncn1
InChIInChI=1S/C24H18F3N3O/c25-24(26,27)21-9-5-4-8-19(21)15-28-22-14-23(30-16-29-22)31-20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-14,16H,15H2,(H,28,29,30)
InChIKeyZSEGABZWQBYMOO-UHFFFAOYSA-N
XLogP6.57
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.42
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80866351
[6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
CID 80918117
2-methoxy-5-[6-[[2-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]benzoic acid
CID 126586281
N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
CID 80870346
N-[[2-(aminomethyl)phenyl]methyl]-6-ethoxypyrimidin-4-amine
CID 66319450
2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 62880800
4-ethoxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 115974989
1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-3-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]propan-2-one
CID 159519206
N-[2-(5-methylfuran-2-yl)ethyl]-6-phenoxypyrimidin-4-amine
CID 155969314
2-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbothioamide
CID 62881671
6-hydrazinyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 80905114
2-(4-phenylphenoxy)-5-(trifluoromethyl)pyridine
CID 894657

Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-(4-phenylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (CID 10295708) is 6-(4-phenylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-phenylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(4-phenylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is FC(F)(F)c1ccccc1CNc1cc(Oc2ccc(-c3ccccc3)cc2)ncn1.
What is the InChIKey of 6-(4-phenylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is ZSEGABZWQBYMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O/c25-24(26,27)21-9-5-4-8-19(21)15-28-22-14-23(30-16-29-22)31-20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-14,16H,15H2,(H,28,29,30).
What are the key properties of 6-(4-phenylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
6-(4-phenylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 421.42 g/mol, XLogP of 6.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 10295708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).