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

C18H15F3N4O2 — CID 21304988

IUPACN-(3,5-dimethoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCOc1cc(Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc(OC)c1
InChIInChI=1S/C18H15F3N4O2/c1-26-13-6-12(7-14(8-13)27-2)23-16-9-15(18(19,20)21)24-17(25-16)11-4-3-5-22-10-11/h3-10H,1-2H3,(H,23,24,25)
InChIKeyGBNSBGDXUMUKBZ-UHFFFAOYSA-N
MW376.34 g/mol
LogP4.32
Rot. Bonds5

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

N-(3,5-dimethoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 21304988) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID21304988
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC NameN-(3,5-dimethoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCOc1cc(Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc(OC)c1
InChIInChI=1S/C18H15F3N4O2/c1-26-13-6-12(7-14(8-13)27-2)23-16-9-15(18(19,20)21)24-17(25-16)11-4-3-5-22-10-11/h3-10H,1-2H3,(H,23,24,25)
InChIKeyGBNSBGDXUMUKBZ-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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Related Compounds

N-(5-methoxy-2-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 10269879
N-(4-methoxyphenyl)-6-phenyl-2-pyridin-3-ylpyrimidin-4-amine
CID 3378255
methyl 2,2,3-trimethyl-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanoate
CID 133350083
N-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,5-dimethoxy-2-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine;hydrochloride
CID 159383458
N-(4-phenoxyphenyl)-2-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 3282642
2-(5-methylfuran-2-yl)-1-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 133353265
N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133380378
N-(3,5-dimethoxyphenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine
CID 157012323
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 136526304
3-[[2-(3-methoxyanilino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile
CID 44525752
3,4-diethyl-5-[[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-1H-pyridazin-6-one
CID 133367453
3-(furan-2-yl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
CID 133490846

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 21304988) is N-(3,5-dimethoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine is COc1cc(Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is GBNSBGDXUMUKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-26-13-6-12(7-14(8-13)27-2)23-16-9-15(18(19,20)21)24-17(25-16)11-4-3-5-22-10-11/h3-10H,1-2H3,(H,23,24,25).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-(3,5-dimethoxyphenyl)-2-pyridin-3-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-3-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 21304988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).