4-methoxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrimidin-6-one

C14H14F3N3O2 — CID 162358683

IUPAC4-methoxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCCCc1cccc(-c2nc(OC)c(C(F)(F)F)c(=O)[nH]2)n1
InChIInChI=1S/C14H14F3N3O2/c1-3-5-8-6-4-7-9(18-8)11-19-12(21)10(14(15,16)17)13(20-11)22-2/h4,6-7H,3,5H2,1-2H3,(H,19,20,21)
InChIKeyKHCODISVYZGOIW-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.81
Rot. Bonds4

About 4-methoxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrimidin-6-one

4-methoxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 162358683) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 4-methoxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methoxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID162358683
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC Name4-methoxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCCCc1cccc(-c2nc(OC)c(C(F)(F)F)c(=O)[nH]2)n1
InChIInChI=1S/C14H14F3N3O2/c1-3-5-8-6-4-7-9(18-8)11-19-12(21)10(14(15,16)17)13(20-11)22-2/h4,6-7H,3,5H2,1-2H3,(H,19,20,21)
InChIKeyKHCODISVYZGOIW-UHFFFAOYSA-N
XLogP2.81
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
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)-1H-pyrimidin-6-one?
The IUPAC name of 4-methoxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrimidin-6-one (CID 162358683) is 4-methoxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methoxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methoxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrimidin-6-one is CCCc1cccc(-c2nc(OC)c(C(F)(F)F)c(=O)[nH]2)n1.
What is the InChIKey of 4-methoxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is KHCODISVYZGOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-3-5-8-6-4-7-9(18-8)11-19-12(21)10(14(15,16)17)13(20-11)22-2/h4,6-7H,3,5H2,1-2H3,(H,19,20,21).
What are the key properties of 4-methoxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrimidin-6-one?
4-methoxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 313.28 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 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)-1H-pyrimidin-6-one is sourced from PubChem (CID 162358683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).