4-(2-methoxy-3-pyridinyl)-5,6-dimethyl-2-(trifluoromethyl)pyrimidine

C13H12F3N3O — CID 56711181

IUPAC4-(2-methoxy-3-pyridinyl)-5,6-dimethyl-2-(trifluoromethyl)pyrimidine
SMILESCOc1ncccc1-c1nc(C(F)(F)F)nc(C)c1C
InChIInChI=1S/C13H12F3N3O/c1-7-8(2)18-12(13(14,15)16)19-10(7)9-5-4-6-17-11(9)20-3/h4-6H,1-3H3
InChIKeyHZAKDHXFKOIZLB-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.18
Rot. Bonds2

About 4-(2-methoxy-3-pyridinyl)-5,6-dimethyl-2-(trifluoromethyl)pyrimidine

4-(2-methoxy-3-pyridinyl)-5,6-dimethyl-2-(trifluoromethyl)pyrimidine (PubChem CID 56711181) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 4-(2-methoxy-3-pyridinyl)-5,6-dimethyl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(2-methoxy-3-pyridinyl)-5,6-dimethyl-2-(trifluoromethyl)pyrimidine
PubChem CID56711181
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name4-(2-methoxy-3-pyridinyl)-5,6-dimethyl-2-(trifluoromethyl)pyrimidine
SMILESCOc1ncccc1-c1nc(C(F)(F)F)nc(C)c1C
InChIInChI=1S/C13H12F3N3O/c1-7-8(2)18-12(13(14,15)16)19-10(7)9-5-4-6-17-11(9)20-3/h4-6H,1-3H3
InChIKeyHZAKDHXFKOIZLB-UHFFFAOYSA-N
XLogP3.18
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-3-pyridinyl)-5,6-dimethyl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(2-methoxy-3-pyridinyl)-5,6-dimethyl-2-(trifluoromethyl)pyrimidine (CID 56711181) is 4-(2-methoxy-3-pyridinyl)-5,6-dimethyl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(2-methoxy-3-pyridinyl)-5,6-dimethyl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(2-methoxy-3-pyridinyl)-5,6-dimethyl-2-(trifluoromethyl)pyrimidine is COc1ncccc1-c1nc(C(F)(F)F)nc(C)c1C.
What is the InChIKey of 4-(2-methoxy-3-pyridinyl)-5,6-dimethyl-2-(trifluoromethyl)pyrimidine?
The InChIKey is HZAKDHXFKOIZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-7-8(2)18-12(13(14,15)16)19-10(7)9-5-4-6-17-11(9)20-3/h4-6H,1-3H3.
What are the key properties of 4-(2-methoxy-3-pyridinyl)-5,6-dimethyl-2-(trifluoromethyl)pyrimidine?
4-(2-methoxy-3-pyridinyl)-5,6-dimethyl-2-(trifluoromethyl)pyrimidine has a molecular weight of 283.25 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-3-pyridinyl)-5,6-dimethyl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 56711181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).