4-(4-methylphenoxy)-N-phenyl-5-(trifluoromethyl)pyrimidin-2-amine

C18H14F3N3O — CID 172680342

IUPAC4-(4-methylphenoxy)-N-phenyl-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1ccc(Oc2nc(Nc3ccccc3)ncc2C(F)(F)F)cc1
InChIInChI=1S/C18H14F3N3O/c1-12-7-9-14(10-8-12)25-16-15(18(19,20)21)11-22-17(24-16)23-13-5-3-2-4-6-13/h2-11H,1H3,(H,22,23,24)
InChIKeyAHPNTVBNLNROJV-UHFFFAOYSA-N
MW345.32 g/mol
LogP5.34
Rot. Bonds4

About 4-(4-methylphenoxy)-N-phenyl-5-(trifluoromethyl)pyrimidin-2-amine

4-(4-methylphenoxy)-N-phenyl-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 172680342) has the molecular formula C18H14F3N3O and a molecular weight of 345.32 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-N-phenyl-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylphenoxy)-N-phenyl-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID172680342
Molecular FormulaC18H14F3N3O
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC Name4-(4-methylphenoxy)-N-phenyl-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1ccc(Oc2nc(Nc3ccccc3)ncc2C(F)(F)F)cc1
InChIInChI=1S/C18H14F3N3O/c1-12-7-9-14(10-8-12)25-16-15(18(19,20)21)11-22-17(24-16)23-13-5-3-2-4-6-13/h2-11H,1H3,(H,22,23,24)
InChIKeyAHPNTVBNLNROJV-UHFFFAOYSA-N
XLogP5.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.32
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-5-(4-methoxyphenyl)-N-phenylpyrimidin-2-amine
CID 70485810
11-[[2-phenoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-[[4-phenoxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5,8-dihydroquinolino[3,4-c]quinoline-6,7-dione
CID 138655615
5-fluoro-4-methoxy-N-phenylpyrimidin-2-amine
CID 121221051
1-[4-(2-anilino-5-methylpyrimidin-4-yl)oxyphenyl]-3-methylbut-2-en-1-one
CID 122634985
4-methoxy-N-(5-methyl-1-phenylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 69085770
4-N-[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]benzene-1,4-diamine
CID 89383731
6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine
CID 19147718
2-[2-(5-methoxy-2-methylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]oxy-N-methylbenzamide
CID 118908133
4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 67210207
N-(4-methylsulfonylphenyl)-4-(3-phenylmethoxybutan-2-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine
CID 76795197
tert-butyl N-[3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]carbamate
CID 87629672
N-[3,5-bis(4-methylphenoxy)phenyl]-5-methylpyrimidin-2-amine
CID 59703134

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-N-phenyl-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-methylphenoxy)-N-phenyl-5-(trifluoromethyl)pyrimidin-2-amine (CID 172680342) is 4-(4-methylphenoxy)-N-phenyl-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylphenoxy)-N-phenyl-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-methylphenoxy)-N-phenyl-5-(trifluoromethyl)pyrimidin-2-amine is Cc1ccc(Oc2nc(Nc3ccccc3)ncc2C(F)(F)F)cc1.
What is the InChIKey of 4-(4-methylphenoxy)-N-phenyl-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is AHPNTVBNLNROJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O/c1-12-7-9-14(10-8-12)25-16-15(18(19,20)21)11-22-17(24-16)23-13-5-3-2-4-6-13/h2-11H,1H3,(H,22,23,24).
What are the key properties of 4-(4-methylphenoxy)-N-phenyl-5-(trifluoromethyl)pyrimidin-2-amine?
4-(4-methylphenoxy)-N-phenyl-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 345.32 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)-N-phenyl-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 172680342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).