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

C17H14F3N5O2 — CID 10110112

IUPACN-(3,5-dimethoxyphenyl)-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCOc1cc(Nc2cc(C(F)(F)F)nc(-c3cnccn3)n2)cc(OC)c1
InChIInChI=1S/C17H14F3N5O2/c1-26-11-5-10(6-12(7-11)27-2)23-15-8-14(17(18,19)20)24-16(25-15)13-9-21-3-4-22-13/h3-9H,1-2H3,(H,23,24,25)
InChIKeyVHRAKWHFLVBDAT-UHFFFAOYSA-N
MW377.33 g/mol
LogP3.71
Rot. Bonds5

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

N-(3,5-dimethoxyphenyl)-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 10110112) has the molecular formula C17H14F3N5O2 and a molecular weight of 377.33 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID10110112
Molecular FormulaC17H14F3N5O2
Molecular Weight377.33 g/mol
Exact Mass377.11
IUPAC NameN-(3,5-dimethoxyphenyl)-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCOc1cc(Nc2cc(C(F)(F)F)nc(-c3cnccn3)n2)cc(OC)c1
InChIInChI=1S/C17H14F3N5O2/c1-26-11-5-10(6-12(7-11)27-2)23-15-8-14(17(18,19)20)24-16(25-15)13-9-21-3-4-22-13/h3-9H,1-2H3,(H,23,24,25)
InChIKeyVHRAKWHFLVBDAT-UHFFFAOYSA-N
XLogP3.71
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 10110112) is N-(3,5-dimethoxyphenyl)-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is COc1cc(Nc2cc(C(F)(F)F)nc(-c3cnccn3)n2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is VHRAKWHFLVBDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O2/c1-26-11-5-10(6-12(7-11)27-2)23-15-8-14(17(18,19)20)24-16(25-15)13-9-21-3-4-22-13/h3-9H,1-2H3,(H,23,24,25).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-(3,5-dimethoxyphenyl)-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 377.33 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 10110112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).