4-methoxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidine

C14H14F3N3O — CID 175897047

IUPAC4-methoxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidine
SMILESCCCc1cccc(-c2ncc(C(F)(F)F)c(OC)n2)n1
InChIInChI=1S/C14H14F3N3O/c1-3-5-9-6-4-7-11(19-9)12-18-8-10(14(15,16)17)13(20-12)21-2/h4,6-8H,3,5H2,1-2H3
InChIKeyHFSWCYZDCFOACJ-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.52
Rot. Bonds4

About 4-methoxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidine

4-methoxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidine (PubChem CID 175897047) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 4-methoxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidine
PubChem CID175897047
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name4-methoxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidine
SMILESCCCc1cccc(-c2ncc(C(F)(F)F)c(OC)n2)n1
InChIInChI=1S/C14H14F3N3O/c1-3-5-9-6-4-7-11(19-9)12-18-8-10(14(15,16)17)13(20-12)21-2/h4,6-8H,3,5H2,1-2H3
InChIKeyHFSWCYZDCFOACJ-UHFFFAOYSA-N
XLogP3.52
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methoxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidine (CID 175897047) is 4-methoxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methoxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methoxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidine is CCCc1cccc(-c2ncc(C(F)(F)F)c(OC)n2)n1.
What is the InChIKey of 4-methoxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidine?
The InChIKey is HFSWCYZDCFOACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-3-5-9-6-4-7-11(19-9)12-18-8-10(14(15,16)17)13(20-12)21-2/h4,6-8H,3,5H2,1-2H3.
What are the key properties of 4-methoxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidine?
4-methoxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidine has a molecular weight of 297.28 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 175897047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).