4-(5-fluoro-3-pyridinyl)-2,5-dimethyl-1H-pyrimidin-6-one

C11H10FN3O — CID 136692266

IUPAC4-(5-fluoro-3-pyridinyl)-2,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2cncc(F)c2)c(C)c(=O)[nH]1
InChIInChI=1S/C11H10FN3O/c1-6-10(14-7(2)15-11(6)16)8-3-9(12)5-13-4-8/h3-5H,1-2H3,(H,14,15,16)
InChIKeyLWAOANWPLAWVGP-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.59
Rot. Bonds1

About 4-(5-fluoro-3-pyridinyl)-2,5-dimethyl-1H-pyrimidin-6-one

4-(5-fluoro-3-pyridinyl)-2,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 136692266) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 4-(5-fluoro-3-pyridinyl)-2,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(5-fluoro-3-pyridinyl)-2,5-dimethyl-1H-pyrimidin-6-one
PubChem CID136692266
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name4-(5-fluoro-3-pyridinyl)-2,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2cncc(F)c2)c(C)c(=O)[nH]1
InChIInChI=1S/C11H10FN3O/c1-6-10(14-7(2)15-11(6)16)8-3-9(12)5-13-4-8/h3-5H,1-2H3,(H,14,15,16)
InChIKeyLWAOANWPLAWVGP-UHFFFAOYSA-N
XLogP1.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 135549350
5-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)pyridine-3-carbonitrile
CID 136769726
3-(5-fluoro-3-pyridinyl)-4,5-dimethyl-1H-pyridazin-6-one
CID 106515803
2,5-dimethyl-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one
CID 136769320
4-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136955503
4-(3-bromo-2,6-difluorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136965576
2,5-dimethyl-4-(4-propan-2-ylphenyl)-1H-pyrimidin-6-one
CID 136955548
4-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136955442
5-(5-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyridine-3-carbonitrile
CID 136769733
4-(5-fluoro-3-pyridinyl)-5-methoxy-1H-pyrimidin-6-one
CID 136692261
3-(5-fluoro-3-pyridinyl)-4H-1,2,4-thiadiazol-5-one
CID 136639651
4-chloro-2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-5-methylpyrimidine
CID 80975934

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-3-pyridinyl)-2,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(5-fluoro-3-pyridinyl)-2,5-dimethyl-1H-pyrimidin-6-one (CID 136692266) is 4-(5-fluoro-3-pyridinyl)-2,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(5-fluoro-3-pyridinyl)-2,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(5-fluoro-3-pyridinyl)-2,5-dimethyl-1H-pyrimidin-6-one is Cc1nc(-c2cncc(F)c2)c(C)c(=O)[nH]1.
What is the InChIKey of 4-(5-fluoro-3-pyridinyl)-2,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is LWAOANWPLAWVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-6-10(14-7(2)15-11(6)16)8-3-9(12)5-13-4-8/h3-5H,1-2H3,(H,14,15,16).
What are the key properties of 4-(5-fluoro-3-pyridinyl)-2,5-dimethyl-1H-pyrimidin-6-one?
4-(5-fluoro-3-pyridinyl)-2,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 219.22 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-3-pyridinyl)-2,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136692266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).