N-(4-methylphenyl)-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine

C19H16F3N3O — CID 122206382

IUPACN-(4-methylphenyl)-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ccc(Nc2nc(OCc3ccccc3)ncc2C(F)(F)F)cc1
InChIInChI=1S/C19H16F3N3O/c1-13-7-9-15(10-8-13)24-17-16(19(20,21)22)11-23-18(25-17)26-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,23,24,25)
InChIKeyWBNUKLDTIZCMEN-UHFFFAOYSA-N
MW359.35 g/mol
LogP5.13
Rot. Bonds5

About N-(4-methylphenyl)-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine

N-(4-methylphenyl)-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 122206382) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID122206382
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC NameN-(4-methylphenyl)-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ccc(Nc2nc(OCc3ccccc3)ncc2C(F)(F)F)cc1
InChIInChI=1S/C19H16F3N3O/c1-13-7-9-15(10-8-13)24-17-16(19(20,21)22)11-23-18(25-17)26-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,23,24,25)
InChIKeyWBNUKLDTIZCMEN-UHFFFAOYSA-N
XLogP5.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.35
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(4-methylphenyl)-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine (CID 122206382) is N-(4-methylphenyl)-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-methylphenyl)-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(4-methylphenyl)-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine is Cc1ccc(Nc2nc(OCc3ccccc3)ncc2C(F)(F)F)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is WBNUKLDTIZCMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c1-13-7-9-15(10-8-13)24-17-16(19(20,21)22)11-23-18(25-17)26-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,23,24,25).
What are the key properties of N-(4-methylphenyl)-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine?
N-(4-methylphenyl)-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 359.35 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 122206382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).