6-(3-iodo-1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-2-one

C10H11IN4O — CID 51034340

IUPAC6-(3-iodo-1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-2-one
SMILESCC(C)n1cc(-c2ccnc(=O)[nH]2)c(I)n1
InChIInChI=1S/C10H11IN4O/c1-6(2)15-5-7(9(11)14-15)8-3-4-12-10(16)13-8/h3-6H,1-2H3,(H,12,13,16)
InChIKeyCLKDOEFITZFAQG-UHFFFAOYSA-N
MW330.13 g/mol
LogP1.82
Rot. Bonds2

About 6-(3-iodo-1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-2-one

6-(3-iodo-1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-2-one (PubChem CID 51034340) has the molecular formula C10H11IN4O and a molecular weight of 330.13 g/mol. Its IUPAC name is 6-(3-iodo-1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(3-iodo-1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-2-one
PubChem CID51034340
Molecular FormulaC10H11IN4O
Molecular Weight330.13 g/mol
Exact Mass330.00
IUPAC Name6-(3-iodo-1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-2-one
SMILESCC(C)n1cc(-c2ccnc(=O)[nH]2)c(I)n1
InChIInChI=1S/C10H11IN4O/c1-6(2)15-5-7(9(11)14-15)8-3-4-12-10(16)13-8/h3-6H,1-2H3,(H,12,13,16)
InChIKeyCLKDOEFITZFAQG-UHFFFAOYSA-N
XLogP1.82
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.13
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-iodo-1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(3-iodo-1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-2-one (CID 51034340) is 6-(3-iodo-1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(3-iodo-1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(3-iodo-1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-2-one is CC(C)n1cc(-c2ccnc(=O)[nH]2)c(I)n1.
What is the InChIKey of 6-(3-iodo-1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-2-one?
The InChIKey is CLKDOEFITZFAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN4O/c1-6(2)15-5-7(9(11)14-15)8-3-4-12-10(16)13-8/h3-6H,1-2H3,(H,12,13,16).
What are the key properties of 6-(3-iodo-1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-2-one?
6-(3-iodo-1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-2-one has a molecular weight of 330.13 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-iodo-1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-2-one is sourced from PubChem (CID 51034340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).