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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Related Compounds

Zotiraciclib
CID 16739650
(3-{[6-(2-Methoxyphenyl)pyrimidin-4-yl]amino}phenyl)methanesulfonamide
CID 25104564
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
6-Ethyl-5-{3-[2-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149549
4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 20855152
N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
N2-[4-methoxy-3-(2,3,4,7-tetrahydro-1H-azepin-5-yl)phenyl]-N4,6-dimethyl-pyrimidine-2,4-diamine
CID 154815704
4-[4-(2-Methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
CID 2989573
3-{2-Methoxy-6-[2-(4-methoxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzonitrile
CID 11660493
4-N-[2-(4-fluorophenoxy)ethyl]-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 44393134
N-tert-butyl-6-(2-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 5330923
6-(2-Methoxyphenyl)-N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]pyrimidine-2,4-Diamine
CID 124220260

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).