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

C11H11IN4O — CID 137005324

IUPAC4-cyclopropyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
SMILESCn1nccc1-c1nc(C2CC2)c(I)c(=O)[nH]1
InChIInChI=1S/C11H11IN4O/c1-16-7(4-5-13-16)10-14-9(6-2-3-6)8(12)11(17)15-10/h4-6H,2-3H2,1H3,(H,14,15,17)
InChIKeyZTFQKXNUPPYLEI-UHFFFAOYSA-N
MW342.14 g/mol
LogP1.65
Rot. Bonds2

About 4-cyclopropyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one

4-cyclopropyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one (PubChem CID 137005324) has the molecular formula C11H11IN4O and a molecular weight of 342.14 g/mol. Its IUPAC name is 4-cyclopropyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopropyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
PubChem CID137005324
Molecular FormulaC11H11IN4O
Molecular Weight342.14 g/mol
Exact Mass342.00
IUPAC Name4-cyclopropyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
SMILESCn1nccc1-c1nc(C2CC2)c(I)c(=O)[nH]1
InChIInChI=1S/C11H11IN4O/c1-16-7(4-5-13-16)10-14-9(6-2-3-6)8(12)11(17)15-10/h4-6H,2-3H2,1H3,(H,14,15,17)
InChIKeyZTFQKXNUPPYLEI-UHFFFAOYSA-N
XLogP1.65
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 51.65
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-cyclopentyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005328
5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 114553934
4-cyclopentyl-5-iodo-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136729854
5-fluoro-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005312
2-(3-bromo-2-pyridinyl)-4-cyclopropyl-5-iodo-1H-pyrimidin-6-one
CID 136999478
1-methyl-5-(2-methylpyrazol-3-yl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135623940
4-cyclopropyl-2-(2-methylpyrazol-3-yl)-1,3-oxazole-5-carboxylic acid
CID 114374304
4-cyclopentyl-5-iodo-2-(2-methylphenyl)-1H-pyrimidin-6-one
CID 136729850
2-(2-bromo-3,4-difluorophenyl)-4-cyclopropyl-5-iodo-1H-pyrimidin-6-one
CID 136920021
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-(2-ethylpyrazol-3-yl)-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 137005366

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopropyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one (CID 137005324) is 4-cyclopropyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopropyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopropyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one is Cn1nccc1-c1nc(C2CC2)c(I)c(=O)[nH]1.
What is the InChIKey of 4-cyclopropyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The InChIKey is ZTFQKXNUPPYLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN4O/c1-16-7(4-5-13-16)10-14-9(6-2-3-6)8(12)11(17)15-10/h4-6H,2-3H2,1H3,(H,14,15,17).
What are the key properties of 4-cyclopropyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
4-cyclopropyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one has a molecular weight of 342.14 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137005324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).