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

C5H6IN3O2 — CID 66285973

IUPAC4-hydroxy-5-iodo-2-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1nc(O)c(I)c(=O)[nH]1
InChIInChI=1S/C5H6IN3O2/c1-7-5-8-3(10)2(6)4(11)9-5/h1H3,(H3,7,8,9,10,11)
InChIKeyKXZNMQSHWWUBAX-UHFFFAOYSA-N
MW267.03 g/mol
LogP0.12
Rot. Bonds1

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

4-hydroxy-5-iodo-2-(methylamino)-1H-pyrimidin-6-one (PubChem CID 66285973) has the molecular formula C5H6IN3O2 and a molecular weight of 267.03 g/mol. Its IUPAC name is 4-hydroxy-5-iodo-2-(methylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-iodo-2-(methylamino)-1H-pyrimidin-6-one
PubChem CID66285973
Molecular FormulaC5H6IN3O2
Molecular Weight267.03 g/mol
Exact Mass266.95
IUPAC Name4-hydroxy-5-iodo-2-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1nc(O)c(I)c(=O)[nH]1
InChIInChI=1S/C5H6IN3O2/c1-7-5-8-3(10)2(6)4(11)9-5/h1H3,(H3,7,8,9,10,11)
InChIKeyKXZNMQSHWWUBAX-UHFFFAOYSA-N
XLogP0.12
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.03
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one
CID 80550834
6-Fluoro-5-iodo-2-(methylamino)-4-pyrimidinol
CID 135442486
2-(Methylamino)-4,6-pyrimidinediol
CID 816954
5-bromo-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one
CID 66285353
2-(diethylamino)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66285761
2-Amino-5-iodopyrimidine-4,6-diol
CID 66286373
2-(dimethylamino)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66286571
6-Chloro-5-iodo-2-(methylamino)pyrimidin-4(3H)-one
CID 136743760

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-iodo-2-(methylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-iodo-2-(methylamino)-1H-pyrimidin-6-one (CID 66285973) is 4-hydroxy-5-iodo-2-(methylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-iodo-2-(methylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-iodo-2-(methylamino)-1H-pyrimidin-6-one is CNc1nc(O)c(I)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-5-iodo-2-(methylamino)-1H-pyrimidin-6-one?
The InChIKey is KXZNMQSHWWUBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6IN3O2/c1-7-5-8-3(10)2(6)4(11)9-5/h1H3,(H3,7,8,9,10,11).
What are the key properties of 4-hydroxy-5-iodo-2-(methylamino)-1H-pyrimidin-6-one?
4-hydroxy-5-iodo-2-(methylamino)-1H-pyrimidin-6-one has a molecular weight of 267.03 g/mol, XLogP of 0.12, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-iodo-2-(methylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 66285973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).