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

C11H14N4O2 — CID 137005311

IUPAC5-(2-hydroxyethyl)-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccnn2C)[nH]c(=O)c1CCO
InChIInChI=1S/C11H14N4O2/c1-7-8(4-6-16)11(17)14-10(13-7)9-3-5-12-15(9)2/h3,5,16H,4,6H2,1-2H3,(H,13,14,17)
InChIKeyOBBSCPXNPBNEPT-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.01
Rot. Bonds3

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

5-(2-hydroxyethyl)-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one (PubChem CID 137005311) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
PubChem CID137005311
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name5-(2-hydroxyethyl)-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccnn2C)[nH]c(=O)c1CCO
InChIInChI=1S/C11H14N4O2/c1-7-8(4-6-16)11(17)14-10(13-7)9-3-5-12-15(9)2/h3,5,16H,4,6H2,1-2H3,(H,13,14,17)
InChIKeyOBBSCPXNPBNEPT-UHFFFAOYSA-N
XLogP0.01
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-hydroxyethyl)-4-methyl-2-(2-propylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005359
5-fluoro-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005312
5-(2-hydroxyethyl)-4-methyl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136877721
5-(2-hydroxyethyl)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one
CID 136930684
4-hydroxy-5-(4-methylphenyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 114553938
2-(2-bromo-5-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136889822
2-(5-chloro-1,3-thiazol-2-yl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136917806
1-methyl-5-(2-methylpyrazol-3-yl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135623940
2-(2-ethylpyrazol-3-yl)-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 137005366
5-bromo-4-(methoxymethyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005322
5-(2-hydroxyethyl)-4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one
CID 136741023
4-cyclopropyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005324

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-hydroxyethyl)-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one (CID 137005311) is 5-(2-hydroxyethyl)-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-hydroxyethyl)-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one is Cc1nc(-c2ccnn2C)[nH]c(=O)c1CCO.
What is the InChIKey of 5-(2-hydroxyethyl)-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The InChIKey is OBBSCPXNPBNEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-7-8(4-6-16)11(17)14-10(13-7)9-3-5-12-15(9)2/h3,5,16H,4,6H2,1-2H3,(H,13,14,17).
What are the key properties of 5-(2-hydroxyethyl)-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
5-(2-hydroxyethyl)-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one has a molecular weight of 234.26 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137005311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).