N-(3,5-dimethoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine

C18H15F3N4O2 — CID 22732337

IUPACN-(3,5-dimethoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCOc1cc(Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)cc(OC)c1
InChIInChI=1S/C18H15F3N4O2/c1-26-13-7-12(8-14(9-13)27-2)23-16-10-15(18(19,20)21)24-17(25-16)11-3-5-22-6-4-11/h3-10H,1-2H3,(H,23,24,25)
InChIKeyWBXFFLIFVWZNTJ-UHFFFAOYSA-N
MW376.34 g/mol
LogP4.32
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine

N-(3,5-dimethoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 22732337) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID22732337
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC NameN-(3,5-dimethoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCOc1cc(Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)cc(OC)c1
InChIInChI=1S/C18H15F3N4O2/c1-26-13-7-12(8-14(9-13)27-2)23-16-10-15(18(19,20)21)24-17(25-16)11-3-5-22-6-4-11/h3-10H,1-2H3,(H,23,24,25)
InChIKeyWBXFFLIFVWZNTJ-UHFFFAOYSA-N
XLogP4.32
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 22732337) is N-(3,5-dimethoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine is COc1cc(Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is WBXFFLIFVWZNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-26-13-7-12(8-14(9-13)27-2)23-16-10-15(18(19,20)21)24-17(25-16)11-3-5-22-6-4-11/h3-10H,1-2H3,(H,23,24,25).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-(3,5-dimethoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 376.34 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 22732337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).