6-iodo-2-methylidene-1H-pyrimidin-4-one

C5H5IN2O — CID 118528037

IUPAC6-iodo-2-methylidene-1H-pyrimidin-4-one
SMILESC=C1NC(=O)C=C(I)N1
InChIInChI=1S/C5H5IN2O/c1-3-7-4(6)2-5(9)8-3/h2,7H,1H2,(H,8,9)
InChIKeyQRSLYGZDRBGKQI-UHFFFAOYSA-N
MW236.01 g/mol
LogP0.45
Rot. Bonds

About 6-iodo-2-methylidene-1H-pyrimidin-4-one

6-iodo-2-methylidene-1H-pyrimidin-4-one (PubChem CID 118528037) has the molecular formula C5H5IN2O and a molecular weight of 236.01 g/mol. Its IUPAC name is 6-iodo-2-methylidene-1H-pyrimidin-4-one.

Molecular Properties

Compound Name6-iodo-2-methylidene-1H-pyrimidin-4-one
PubChem CID118528037
Molecular FormulaC5H5IN2O
Molecular Weight236.01 g/mol
Exact Mass235.94
IUPAC Name6-iodo-2-methylidene-1H-pyrimidin-4-one
SMILESC=C1NC(=O)C=C(I)N1
InChIInChI=1S/C5H5IN2O/c1-3-7-4(6)2-5(9)8-3/h2,7H,1H2,(H,8,9)
InChIKeyQRSLYGZDRBGKQI-UHFFFAOYSA-N
XLogP0.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.01
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Aminouracil
CID 70120
6-Iodouracil
CID 96083
2-Amino-6-iodopyrimidin-4(1H)-one
CID 135823043
N-(6-iodo-4-oxo-1H-pyridin-2-yl)acetamide
CID 57310367
6-iodo-2-sulfanylidene-1H-pyrimidin-4-one
CID 60150280
6-amino-3-iodo-1H-pyrimidine-2,4-dione
CID 70940936
6-Iodo-1-sulfanylpyrimidine-2,4-dione
CID 132115075
6-Amino-2,4-dihydroxypyrimidine-13C,15N2
CID 154624359
6-amino-(513C)1H-pyrimidine-2,4-dione
CID 154624367
6-amino-(1,3-15N2)1H-pyrimidine-2,4-dione
CID 12244263
6-Amino-2,4-dihydroxypyrimidine-13C3
CID 169433224

Frequently Asked Questions

What is the IUPAC name of 6-iodo-2-methylidene-1H-pyrimidin-4-one?
The IUPAC name of 6-iodo-2-methylidene-1H-pyrimidin-4-one (CID 118528037) is 6-iodo-2-methylidene-1H-pyrimidin-4-one.
What is the SMILES notation for 6-iodo-2-methylidene-1H-pyrimidin-4-one?
The canonical SMILES for 6-iodo-2-methylidene-1H-pyrimidin-4-one is C=C1NC(=O)C=C(I)N1.
What is the InChIKey of 6-iodo-2-methylidene-1H-pyrimidin-4-one?
The InChIKey is QRSLYGZDRBGKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5IN2O/c1-3-7-4(6)2-5(9)8-3/h2,7H,1H2,(H,8,9).
What are the key properties of 6-iodo-2-methylidene-1H-pyrimidin-4-one?
6-iodo-2-methylidene-1H-pyrimidin-4-one has a molecular weight of 236.01 g/mol, XLogP of 0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2-methylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 118528037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).