4,6-dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine

C12H11F3N4O2 — CID 138755794

IUPAC4,6-dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine
SMILESCOc1cc(OC)nc(Nc2ncccc2C(F)(F)F)n1
InChIInChI=1S/C12H11F3N4O2/c1-20-8-6-9(21-2)18-11(17-8)19-10-7(12(13,14)15)4-3-5-16-10/h3-6H,1-2H3,(H,16,17,18,19)
InChIKeyFOHUVEQSVOMUOO-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.65
Rot. Bonds4

About 4,6-dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine

4,6-dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine (PubChem CID 138755794) has the molecular formula C12H11F3N4O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is 4,6-dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine
PubChem CID138755794
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC Name4,6-dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine
SMILESCOc1cc(OC)nc(Nc2ncccc2C(F)(F)F)n1
InChIInChI=1S/C12H11F3N4O2/c1-20-8-6-9(21-2)18-11(17-8)19-10-7(12(13,14)15)4-3-5-16-10/h3-6H,1-2H3,(H,16,17,18,19)
InChIKeyFOHUVEQSVOMUOO-UHFFFAOYSA-N
XLogP2.65
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine (CID 138755794) is 4,6-dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine is COc1cc(OC)nc(Nc2ncccc2C(F)(F)F)n1.
What is the InChIKey of 4,6-dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is FOHUVEQSVOMUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2/c1-20-8-6-9(21-2)18-11(17-8)19-10-7(12(13,14)15)4-3-5-16-10/h3-6H,1-2H3,(H,16,17,18,19).
What are the key properties of 4,6-dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine?
4,6-dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 300.24 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 138755794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).