N-(2-methoxy-5-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine

C18H15F3N4O — CID 10133128

IUPACN-(2-methoxy-5-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCOc1ccc(C)cc1Nc1cc(C(F)(F)F)nc(-c2cccnc2)n1
InChIInChI=1S/C18H15F3N4O/c1-11-5-6-14(26-2)13(8-11)23-16-9-15(18(19,20)21)24-17(25-16)12-4-3-7-22-10-12/h3-10H,1-2H3,(H,23,24,25)
InChIKeyYDJXUAZJYVSXPH-UHFFFAOYSA-N
MW360.34 g/mol
LogP4.62
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine

N-(2-methoxy-5-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 10133128) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID10133128
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCOc1ccc(C)cc1Nc1cc(C(F)(F)F)nc(-c2cccnc2)n1
InChIInChI=1S/C18H15F3N4O/c1-11-5-6-14(26-2)13(8-11)23-16-9-15(18(19,20)21)24-17(25-16)12-4-3-7-22-10-12/h3-10H,1-2H3,(H,23,24,25)
InChIKeyYDJXUAZJYVSXPH-UHFFFAOYSA-N
XLogP4.62
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 10133128) is N-(2-methoxy-5-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine is COc1ccc(C)cc1Nc1cc(C(F)(F)F)nc(-c2cccnc2)n1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is YDJXUAZJYVSXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c1-11-5-6-14(26-2)13(8-11)23-16-9-15(18(19,20)21)24-17(25-16)12-4-3-7-22-10-12/h3-10H,1-2H3,(H,23,24,25).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-(2-methoxy-5-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 360.34 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 10133128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).