5-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione

C9H9IN4O2 — CID 82882692

IUPAC5-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
SMILESCn1ccc(Cn2cc(I)c(=O)[nH]c2=O)n1
InChIInChI=1S/C9H9IN4O2/c1-13-3-2-6(12-13)4-14-5-7(10)8(15)11-9(14)16/h2-3,5H,4H2,1H3,(H,11,15,16)
InChIKeyJIRLICJXWDTKPR-UHFFFAOYSA-N
MW332.10 g/mol
LogP-0.08
Rot. Bonds2

About 5-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione

5-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione (PubChem CID 82882692) has the molecular formula C9H9IN4O2 and a molecular weight of 332.10 g/mol. Its IUPAC name is 5-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
PubChem CID82882692
Molecular FormulaC9H9IN4O2
Molecular Weight332.10 g/mol
Exact Mass331.98
IUPAC Name5-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
SMILESCn1ccc(Cn2cc(I)c(=O)[nH]c2=O)n1
InChIInChI=1S/C9H9IN4O2/c1-13-3-2-6(12-13)4-14-5-7(10)8(15)11-9(14)16/h2-3,5H,4H2,1H3,(H,11,15,16)
InChIKeyJIRLICJXWDTKPR-UHFFFAOYSA-N
XLogP-0.08
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.10
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one
CID 82882780
5-iodo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 82876264
5-iodo-1-pentylpyrimidine-2,4-dione
CID 79784699
3-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one
CID 114761326
2,4-dioxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidine-5-sulfonamide
CID 81336433
5-iodo-1-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrimidine-2,4-dione
CID 162342742
5-iodo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidine-2,4-dione
CID 113427652
1-[(5-bromo-2-methoxyphenyl)methyl]-5-iodopyrimidine-2,4-dione
CID 79784796
5-bromo-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 82875940
ethyl 1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate
CID 105422066
1-[(3-bromo-4-fluorophenyl)methyl]-5-iodopyrimidine-2,4-dione
CID 79785357
5-amino-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
CID 64799958

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione (CID 82882692) is 5-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione is Cn1ccc(Cn2cc(I)c(=O)[nH]c2=O)n1.
What is the InChIKey of 5-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is JIRLICJXWDTKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IN4O2/c1-13-3-2-6(12-13)4-14-5-7(10)8(15)11-9(14)16/h2-3,5H,4H2,1H3,(H,11,15,16).
What are the key properties of 5-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione?
5-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 332.10 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 82882692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).