2,6-diamino-5-iodo-3-methylpyrimidin-4-one

C5H7IN4O — CID 12896488

IUPAC2,6-diamino-5-iodo-3-methylpyrimidin-4-one
SMILESCn1c(N)nc(N)c(I)c1=O
InChIInChI=1S/C5H7IN4O/c1-10-4(11)2(6)3(7)9-5(10)8/h7H2,1H3,(H2,8,9)
InChIKeySEGSFKIIKVIZDL-UHFFFAOYSA-N
MW266.04 g/mol
LogP-0.45
Rot. Bonds

About 2,6-diamino-5-iodo-3-methylpyrimidin-4-one

2,6-diamino-5-iodo-3-methylpyrimidin-4-one (PubChem CID 12896488) has the molecular formula C5H7IN4O and a molecular weight of 266.04 g/mol. Its IUPAC name is 2,6-diamino-5-iodo-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2,6-diamino-5-iodo-3-methylpyrimidin-4-one
PubChem CID12896488
Molecular FormulaC5H7IN4O
Molecular Weight266.04 g/mol
Exact Mass265.97
IUPAC Name2,6-diamino-5-iodo-3-methylpyrimidin-4-one
SMILESCn1c(N)nc(N)c(I)c1=O
InChIInChI=1S/C5H7IN4O/c1-10-4(11)2(6)3(7)9-5(10)8/h7H2,1H3,(H2,8,9)
InChIKeySEGSFKIIKVIZDL-UHFFFAOYSA-N
XLogP-0.45
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.04
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-5-iodo-3-methylpyrimidin-4-one?
The IUPAC name of 2,6-diamino-5-iodo-3-methylpyrimidin-4-one (CID 12896488) is 2,6-diamino-5-iodo-3-methylpyrimidin-4-one.
What is the SMILES notation for 2,6-diamino-5-iodo-3-methylpyrimidin-4-one?
The canonical SMILES for 2,6-diamino-5-iodo-3-methylpyrimidin-4-one is Cn1c(N)nc(N)c(I)c1=O.
What is the InChIKey of 2,6-diamino-5-iodo-3-methylpyrimidin-4-one?
The InChIKey is SEGSFKIIKVIZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7IN4O/c1-10-4(11)2(6)3(7)9-5(10)8/h7H2,1H3,(H2,8,9).
What are the key properties of 2,6-diamino-5-iodo-3-methylpyrimidin-4-one?
2,6-diamino-5-iodo-3-methylpyrimidin-4-one has a molecular weight of 266.04 g/mol, XLogP of -0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-5-iodo-3-methylpyrimidin-4-one is sourced from PubChem (CID 12896488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).