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

C19H16F3N3O — CID 3233293

IUPACN-[(2-methoxyphenyl)methyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1cc(-c2ccccc2C(F)(F)F)ncn1
InChIInChI=1S/C19H16F3N3O/c1-26-17-9-5-2-6-13(17)11-23-18-10-16(24-12-25-18)14-7-3-4-8-15(14)19(20,21)22/h2-10,12H,11H2,1H3,(H,23,24,25)
InChIKeySYHGSAMYWDHRJC-UHFFFAOYSA-N
MW359.35 g/mol
LogP4.78
Rot. Bonds5

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

N-[(2-methoxyphenyl)methyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 3233293) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID3233293
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC NameN-[(2-methoxyphenyl)methyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1cc(-c2ccccc2C(F)(F)F)ncn1
InChIInChI=1S/C19H16F3N3O/c1-26-17-9-5-2-6-13(17)11-23-18-10-16(24-12-25-18)14-7-3-4-8-15(14)19(20,21)22/h2-10,12H,11H2,1H3,(H,23,24,25)
InChIKeySYHGSAMYWDHRJC-UHFFFAOYSA-N
XLogP4.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 3233293) is N-[(2-methoxyphenyl)methyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is COc1ccccc1CNc1cc(-c2ccccc2C(F)(F)F)ncn1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is SYHGSAMYWDHRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c1-26-17-9-5-2-6-13(17)11-23-18-10-16(24-12-25-18)14-7-3-4-8-15(14)19(20,21)22/h2-10,12H,11H2,1H3,(H,23,24,25).
What are the key properties of N-[(2-methoxyphenyl)methyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
N-[(2-methoxyphenyl)methyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 359.35 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 3233293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).