5-bromo-4-(methoxymethyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one

C10H11BrN4O2 — CID 137005322

IUPAC5-bromo-4-(methoxymethyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
SMILESCOCc1nc(-c2ccnn2C)[nH]c(=O)c1Br
InChIInChI=1S/C10H11BrN4O2/c1-15-7(3-4-12-15)9-13-6(5-17-2)8(11)10(16)14-9/h3-4H,5H2,1-2H3,(H,13,14,16)
InChIKeyAEJPQXJQINVPCM-UHFFFAOYSA-N
MW299.13 g/mol
LogP1.08
Rot. Bonds3

About 5-bromo-4-(methoxymethyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one

5-bromo-4-(methoxymethyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one (PubChem CID 137005322) has the molecular formula C10H11BrN4O2 and a molecular weight of 299.13 g/mol. Its IUPAC name is 5-bromo-4-(methoxymethyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(methoxymethyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
PubChem CID137005322
Molecular FormulaC10H11BrN4O2
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC Name5-bromo-4-(methoxymethyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
SMILESCOCc1nc(-c2ccnn2C)[nH]c(=O)c1Br
InChIInChI=1S/C10H11BrN4O2/c1-15-7(3-4-12-15)9-13-6(5-17-2)8(11)10(16)14-9/h3-4H,5H2,1-2H3,(H,13,14,16)
InChIKeyAEJPQXJQINVPCM-UHFFFAOYSA-N
XLogP1.08
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-4-(methoxymethyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-(2-ethylpyrazol-3-yl)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 137005380
5-bromo-2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136774563
5-fluoro-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005312
1-methyl-5-(2-methylpyrazol-3-yl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135623940
5-(2-hydroxyethyl)-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005311
4-cyclopropyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005324
4-hydroxy-5-(4-methylphenyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 114553938
5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 114553934
5-bromo-2-(2-ethylpyrazol-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 114557431
4-cyclopentyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005328
2-ethyl-4-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137068959
5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 137011848

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(methoxymethyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(methoxymethyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one (CID 137005322) is 5-bromo-4-(methoxymethyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(methoxymethyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(methoxymethyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one is COCc1nc(-c2ccnn2C)[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-(methoxymethyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The InChIKey is AEJPQXJQINVPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O2/c1-15-7(3-4-12-15)9-13-6(5-17-2)8(11)10(16)14-9/h3-4H,5H2,1-2H3,(H,13,14,16).
What are the key properties of 5-bromo-4-(methoxymethyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
5-bromo-4-(methoxymethyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one has a molecular weight of 299.13 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(methoxymethyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137005322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).