5-fluoro-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one

C9H9FN4O — CID 137005312

IUPAC5-fluoro-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccnn2C)[nH]c(=O)c1F
InChIInChI=1S/C9H9FN4O/c1-5-7(10)9(15)13-8(12-5)6-3-4-11-14(6)2/h3-4H,1-2H3,(H,12,13,15)
InChIKeyUBUBTGUBNFVKEL-UHFFFAOYSA-N
MW208.20 g/mol
LogP0.62
Rot. Bonds1

About 5-fluoro-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one

5-fluoro-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one (PubChem CID 137005312) has the molecular formula C9H9FN4O and a molecular weight of 208.20 g/mol. Its IUPAC name is 5-fluoro-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
PubChem CID137005312
Molecular FormulaC9H9FN4O
Molecular Weight208.20 g/mol
Exact Mass208.08
IUPAC Name5-fluoro-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccnn2C)[nH]c(=O)c1F
InChIInChI=1S/C9H9FN4O/c1-5-7(10)9(15)13-8(12-5)6-3-4-11-14(6)2/h3-4H,1-2H3,(H,12,13,15)
InChIKeyUBUBTGUBNFVKEL-UHFFFAOYSA-N
XLogP0.62
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-hydroxyethyl)-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005311
1-methyl-5-(2-methylpyrazol-3-yl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135623940
4-hydroxy-5-(4-methylphenyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 114553938
4-cyclopropyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005324
5-fluoro-2,4-dimethyl-1H-pyrimidin-6-one
CID 135416969
5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 114553934
[5-fluoro-6-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-yl]hydrazine
CID 114554419
2-(2-ethylpyrazol-3-yl)-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 137005366
4-cyclopentyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005328
5-bromo-4-(methoxymethyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005322
2-(3-chloro-2-fluorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136987470
5-(2-hydroxyethyl)-4-methyl-2-(2-propylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005359

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one (CID 137005312) is 5-fluoro-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one is Cc1nc(-c2ccnn2C)[nH]c(=O)c1F.
What is the InChIKey of 5-fluoro-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The InChIKey is UBUBTGUBNFVKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O/c1-5-7(10)9(15)13-8(12-5)6-3-4-11-14(6)2/h3-4H,1-2H3,(H,12,13,15).
What are the key properties of 5-fluoro-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
5-fluoro-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one has a molecular weight of 208.20 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137005312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).