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

C8H7IN4O — CID 70311086

IUPAC6-(3-iodo-1-methylpyrazol-4-yl)-1H-pyrimidin-2-one
SMILESCn1cc(-c2ccnc(=O)[nH]2)c(I)n1
InChIInChI=1S/C8H7IN4O/c1-13-4-5(7(9)12-13)6-2-3-10-8(14)11-6/h2-4H,1H3,(H,10,11,14)
InChIKeyUYYOAZXXHWPNHY-UHFFFAOYSA-N
MW302.08 g/mol
LogP0.77
Rot. Bonds1

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

6-(3-iodo-1-methylpyrazol-4-yl)-1H-pyrimidin-2-one (PubChem CID 70311086) has the molecular formula C8H7IN4O and a molecular weight of 302.08 g/mol. Its IUPAC name is 6-(3-iodo-1-methylpyrazol-4-yl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(3-iodo-1-methylpyrazol-4-yl)-1H-pyrimidin-2-one
PubChem CID70311086
Molecular FormulaC8H7IN4O
Molecular Weight302.08 g/mol
Exact Mass301.97
IUPAC Name6-(3-iodo-1-methylpyrazol-4-yl)-1H-pyrimidin-2-one
SMILESCn1cc(-c2ccnc(=O)[nH]2)c(I)n1
InChIInChI=1S/C8H7IN4O/c1-13-4-5(7(9)12-13)6-2-3-10-8(14)11-6/h2-4H,1H3,(H,10,11,14)
InChIKeyUYYOAZXXHWPNHY-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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Frequently Asked Questions

What is the IUPAC name of 6-(3-iodo-1-methylpyrazol-4-yl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(3-iodo-1-methylpyrazol-4-yl)-1H-pyrimidin-2-one (CID 70311086) is 6-(3-iodo-1-methylpyrazol-4-yl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(3-iodo-1-methylpyrazol-4-yl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(3-iodo-1-methylpyrazol-4-yl)-1H-pyrimidin-2-one is Cn1cc(-c2ccnc(=O)[nH]2)c(I)n1.
What is the InChIKey of 6-(3-iodo-1-methylpyrazol-4-yl)-1H-pyrimidin-2-one?
The InChIKey is UYYOAZXXHWPNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN4O/c1-13-4-5(7(9)12-13)6-2-3-10-8(14)11-6/h2-4H,1H3,(H,10,11,14).
What are the key properties of 6-(3-iodo-1-methylpyrazol-4-yl)-1H-pyrimidin-2-one?
6-(3-iodo-1-methylpyrazol-4-yl)-1H-pyrimidin-2-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 6-(3-iodo-1-methylpyrazol-4-yl)-1H-pyrimidin-2-one is sourced from PubChem (CID 70311086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).