4-chloro-5-iodo-2-(methylamino)-1H-pyrimidin-6-one

C5H5ClIN3O — CID 136743760

IUPAC4-chloro-5-iodo-2-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1nc(Cl)c(I)c(=O)[nH]1
InChIInChI=1S/C5H5ClIN3O/c1-8-5-9-3(6)2(7)4(11)10-5/h1H3,(H2,8,9,10,11)
InChIKeySJLFTKKSKHRNMF-UHFFFAOYSA-N
MW285.47 g/mol
LogP1.07
Rot. Bonds1

About 4-chloro-5-iodo-2-(methylamino)-1H-pyrimidin-6-one

4-chloro-5-iodo-2-(methylamino)-1H-pyrimidin-6-one (PubChem CID 136743760) has the molecular formula C5H5ClIN3O and a molecular weight of 285.47 g/mol. Its IUPAC name is 4-chloro-5-iodo-2-(methylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-chloro-5-iodo-2-(methylamino)-1H-pyrimidin-6-one
PubChem CID136743760
Molecular FormulaC5H5ClIN3O
Molecular Weight285.47 g/mol
Exact Mass284.92
IUPAC Name4-chloro-5-iodo-2-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1nc(Cl)c(I)c(=O)[nH]1
InChIInChI=1S/C5H5ClIN3O/c1-8-5-9-3(6)2(7)4(11)10-5/h1H3,(H2,8,9,10,11)
InChIKeySJLFTKKSKHRNMF-UHFFFAOYSA-N
XLogP1.07
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-iodo-2-(methylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-chloro-5-iodo-2-(methylamino)-1H-pyrimidin-6-one (CID 136743760) is 4-chloro-5-iodo-2-(methylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-chloro-5-iodo-2-(methylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-chloro-5-iodo-2-(methylamino)-1H-pyrimidin-6-one is CNc1nc(Cl)c(I)c(=O)[nH]1.
What is the InChIKey of 4-chloro-5-iodo-2-(methylamino)-1H-pyrimidin-6-one?
The InChIKey is SJLFTKKSKHRNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClIN3O/c1-8-5-9-3(6)2(7)4(11)10-5/h1H3,(H2,8,9,10,11).
What are the key properties of 4-chloro-5-iodo-2-(methylamino)-1H-pyrimidin-6-one?
4-chloro-5-iodo-2-(methylamino)-1H-pyrimidin-6-one has a molecular weight of 285.47 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-iodo-2-(methylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136743760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).