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

C16H13F3N6O2 — CID 22732523

IUPACN-(4,6-dimethoxypyrimidin-2-yl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCOc1cc(OC)nc(Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)n1
InChIInChI=1S/C16H13F3N6O2/c1-26-12-7-13(27-2)25-15(24-12)23-11-6-10(16(17,18)19)21-14(22-11)9-4-3-5-20-8-9/h3-8H,1-2H3,(H,21,22,23,24,25)
InChIKeyLQUWTVPMHXSVEP-UHFFFAOYSA-N
MW378.31 g/mol
LogP3.11
Rot. Bonds5

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

N-(4,6-dimethoxypyrimidin-2-yl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 22732523) has the molecular formula C16H13F3N6O2 and a molecular weight of 378.31 g/mol. Its IUPAC name is N-(4,6-dimethoxypyrimidin-2-yl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4,6-dimethoxypyrimidin-2-yl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID22732523
Molecular FormulaC16H13F3N6O2
Molecular Weight378.31 g/mol
Exact Mass378.11
IUPAC NameN-(4,6-dimethoxypyrimidin-2-yl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCOc1cc(OC)nc(Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)n1
InChIInChI=1S/C16H13F3N6O2/c1-26-12-7-13(27-2)25-15(24-12)23-11-6-10(16(17,18)19)21-14(22-11)9-4-3-5-20-8-9/h3-8H,1-2H3,(H,21,22,23,24,25)
InChIKeyLQUWTVPMHXSVEP-UHFFFAOYSA-N
XLogP3.11
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 22732523) is N-(4,6-dimethoxypyrimidin-2-yl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(4,6-dimethoxypyrimidin-2-yl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(4,6-dimethoxypyrimidin-2-yl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine is COc1cc(OC)nc(Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)n1.
What is the InChIKey of N-(4,6-dimethoxypyrimidin-2-yl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is LQUWTVPMHXSVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N6O2/c1-26-12-7-13(27-2)25-15(24-12)23-11-6-10(16(17,18)19)21-14(22-11)9-4-3-5-20-8-9/h3-8H,1-2H3,(H,21,22,23,24,25).
What are the key properties of N-(4,6-dimethoxypyrimidin-2-yl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-(4,6-dimethoxypyrimidin-2-yl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 378.31 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethoxypyrimidin-2-yl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 22732523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).