5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one

C8H7IN4O — CID 114553934

IUPAC5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
SMILESCn1nccc1-c1ncc(I)c(=O)[nH]1
InChIInChI=1S/C8H7IN4O/c1-13-6(2-3-11-13)7-10-4-5(9)8(14)12-7/h2-4H,1H3,(H,10,12,14)
InChIKeyCWFGSTPLBPRYLU-UHFFFAOYSA-N
MW302.08 g/mol
LogP0.77
Rot. Bonds1

About 5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one

5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one (PubChem CID 114553934) has the molecular formula C8H7IN4O and a molecular weight of 302.08 g/mol. Its IUPAC name is 5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
PubChem CID114553934
Molecular FormulaC8H7IN4O
Molecular Weight302.08 g/mol
Exact Mass301.97
IUPAC Name5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
SMILESCn1nccc1-c1ncc(I)c(=O)[nH]1
InChIInChI=1S/C8H7IN4O/c1-13-6(2-3-11-13)7-10-4-5(9)8(14)12-7/h2-4H,1H3,(H,10,12,14)
InChIKeyCWFGSTPLBPRYLU-UHFFFAOYSA-N
XLogP0.77
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.08
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-cyclopropyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005324
1-methyl-5-(2-methylpyrazol-3-yl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135623940
4-cyclopentyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005328
5-fluoro-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005312
2-(4-fluorophenyl)-5-iodo-1H-pyrimidin-6-one
CID 66317416
5-iodo-2-(3-nitrophenyl)-1H-pyrimidin-6-one
CID 66315548
4-hydroxy-5-(4-methylphenyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 114553938
5-(2-hydroxyethyl)-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005311
2-methyl-1-[5-(2-methylpyrazol-3-yl)-1H-imidazol-2-yl]propan-1-amine
CID 136847536
5-iodo-2-(2-nitrophenyl)-1H-pyrimidin-6-one
CID 66317414
5-bromo-4-(methoxymethyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005322
5-iodo-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one
CID 103347871

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one (CID 114553934) is 5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one is Cn1nccc1-c1ncc(I)c(=O)[nH]1.
What is the InChIKey of 5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The InChIKey is CWFGSTPLBPRYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN4O/c1-13-6(2-3-11-13)7-10-4-5(9)8(14)12-7/h2-4H,1H3,(H,10,12,14).
What are the key properties of 5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one has a molecular weight of 302.08 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114553934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).