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

C4H3IN2O — CID 67211625

IUPAC2-iodo-1H-pyrimidin-6-one
SMILESO=c1ccnc(I)[nH]1
InChIInChI=1S/C4H3IN2O/c5-4-6-2-1-3(8)7-4/h1-2H,(H,6,7,8)
InChIKeyCJRGURSMPVTLPN-UHFFFAOYSA-N
MW221.99 g/mol
LogP0.37
Rot. Bonds

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

2-iodo-1H-pyrimidin-6-one (PubChem CID 67211625) has the molecular formula C4H3IN2O and a molecular weight of 221.99 g/mol. Its IUPAC name is 2-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-iodo-1H-pyrimidin-6-one
PubChem CID67211625
Molecular FormulaC4H3IN2O
Molecular Weight221.99 g/mol
Exact Mass221.93
IUPAC Name2-iodo-1H-pyrimidin-6-one
SMILESO=c1ccnc(I)[nH]1
InChIInChI=1S/C4H3IN2O/c5-4-6-2-1-3(8)7-4/h1-2H,(H,6,7,8)
InChIKeyCJRGURSMPVTLPN-UHFFFAOYSA-N
XLogP0.37
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.99
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxypyrimidine
CID 20695
Isocytosine
CID 66950
2-Selenouracil
CID 6327781
Uracil-1-yl
CID 150747
Hydroxy-fluoropyrimidine
CID 21791026
2-Chloropyrimidin-4(3H)-one
CID 13678541
Sodium 6-oxo-1,6-dihydropyrimidine-2-thiolate
CID 23713982
Hydroxyhydroperoxypyrimidine
CID 129678328
2-Chloro-5-iodopyrimidin-4(3H)-one
CID 50941556
2-Bromopyrimidin-4-ol
CID 55283247
Carbanide;1,2-dihydropyrimidin-2-id-6-one;tungsten(2+)
CID 59333707
5-deuterio-1H-pyrimidin-6-one
CID 59374779

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-iodo-1H-pyrimidin-6-one (CID 67211625) is 2-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-iodo-1H-pyrimidin-6-one is O=c1ccnc(I)[nH]1.
What is the InChIKey of 2-iodo-1H-pyrimidin-6-one?
The InChIKey is CJRGURSMPVTLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3IN2O/c5-4-6-2-1-3(8)7-4/h1-2H,(H,6,7,8).
What are the key properties of 2-iodo-1H-pyrimidin-6-one?
2-iodo-1H-pyrimidin-6-one has a molecular weight of 221.99 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 67211625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).