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

C13H12F3N3O2 — CID 162358741

IUPAC4-hydroxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCCCc1cccc(-c2nc(O)c(C(F)(F)F)c(=O)[nH]2)n1
InChIInChI=1S/C13H12F3N3O2/c1-2-4-7-5-3-6-8(17-7)10-18-11(20)9(12(21)19-10)13(14,15)16/h3,5-6H,2,4H2,1H3,(H2,18,19,20,21)
InChIKeyYNBRRKCSBOVJHU-UHFFFAOYSA-N
MW299.25 g/mol
LogP2.51
Rot. Bonds3

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

4-hydroxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 162358741) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is 4-hydroxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID162358741
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC Name4-hydroxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCCCc1cccc(-c2nc(O)c(C(F)(F)F)c(=O)[nH]2)n1
InChIInChI=1S/C13H12F3N3O2/c1-2-4-7-5-3-6-8(17-7)10-18-11(20)9(12(21)19-10)13(14,15)16/h3,5-6H,2,4H2,1H3,(H2,18,19,20,21)
InChIKeyYNBRRKCSBOVJHU-UHFFFAOYSA-N
XLogP2.51
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrimidin-6-one (CID 162358741) is 4-hydroxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrimidin-6-one is CCCc1cccc(-c2nc(O)c(C(F)(F)F)c(=O)[nH]2)n1.
What is the InChIKey of 4-hydroxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is YNBRRKCSBOVJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c1-2-4-7-5-3-6-8(17-7)10-18-11(20)9(12(21)19-10)13(14,15)16/h3,5-6H,2,4H2,1H3,(H2,18,19,20,21).
What are the key properties of 4-hydroxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrimidin-6-one?
4-hydroxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 299.25 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(6-propyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 162358741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).