5-methoxy-2-pyridin-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine

C18H15F3N4O — CID 70688843

IUPAC5-methoxy-2-pyridin-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESCOc1cnc(-c2ccccn2)nc1NCc1ccccc1C(F)(F)F
InChIInChI=1S/C18H15F3N4O/c1-26-15-11-24-16(14-8-4-5-9-22-14)25-17(15)23-10-12-6-2-3-7-13(12)18(19,20)21/h2-9,11H,10H2,1H3,(H,23,24,25)
InChIKeyGZIPJTDUDKQMMA-UHFFFAOYSA-N
MW360.34 g/mol
LogP4.18
Rot. Bonds5

About 5-methoxy-2-pyridin-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine

5-methoxy-2-pyridin-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 70688843) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is 5-methoxy-2-pyridin-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methoxy-2-pyridin-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
PubChem CID70688843
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC Name5-methoxy-2-pyridin-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESCOc1cnc(-c2ccccn2)nc1NCc1ccccc1C(F)(F)F
InChIInChI=1S/C18H15F3N4O/c1-26-15-11-24-16(14-8-4-5-9-22-14)25-17(15)23-10-12-6-2-3-7-13(12)18(19,20)21/h2-9,11H,10H2,1H3,(H,23,24,25)
InChIKeyGZIPJTDUDKQMMA-UHFFFAOYSA-N
XLogP4.18
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

BMS-181101 free base
CID 177836
5-Methoxy-N-(1-methylethyl)-2-(2-pyridinyl)-4-pyrimidinamine
CID 1470715
5-methoxy-N-methyl-N-phenyl-2-(2-pyridinyl)-4-pyrimidinamine
CID 1470719
N-(2-phenylethyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 44590980
N-(5-Methoxypyrimidin-2-yl)-N,2-dimethylquinazolin-4-amine
CID 42625914
5-Methoxy-4-piperidin-1-yl-2-pyridin-2-ylpyrimidine
CID 51040288
N-benzyl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine
CID 51042017
US10584134, Example 2-2
CID 53234870
N-(4-Fluoro-2-(trifluoromethyl)benzyl)-5-methoxy-2-(pyridin-2-yl)pyrimidin-4-amine
CID 70686766
AS2690168 free base
CID 70695115
N-[(2-fluorophenyl)methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine
CID 70697151
6-{4-[4-(4-Fluoro-3-trifluoromethyl-phenyl)-1-methyl-1H-imidazol-2-yl]-piperidin-1-yl}-5-methoxy-pyrimidin-4-ylamine
CID 89442709

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-pyridin-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 5-methoxy-2-pyridin-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (CID 70688843) is 5-methoxy-2-pyridin-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-methoxy-2-pyridin-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 5-methoxy-2-pyridin-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is COc1cnc(-c2ccccn2)nc1NCc1ccccc1C(F)(F)F.
What is the InChIKey of 5-methoxy-2-pyridin-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is GZIPJTDUDKQMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c1-26-15-11-24-16(14-8-4-5-9-22-14)25-17(15)23-10-12-6-2-3-7-13(12)18(19,20)21/h2-9,11H,10H2,1H3,(H,23,24,25).
What are the key properties of 5-methoxy-2-pyridin-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
5-methoxy-2-pyridin-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 360.34 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-pyridin-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 70688843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).