4-(2,3-dihydroxypropylamino)-5-iodo-1H-pyrimidin-6-one

C7H10IN3O3 — CID 136956912

IUPAC4-(2,3-dihydroxypropylamino)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCC(O)CO)c1I
InChIInChI=1S/C7H10IN3O3/c8-5-6(9-1-4(13)2-12)10-3-11-7(5)14/h3-4,12-13H,1-2H2,(H2,9,10,11,14)
InChIKeyIQAOJHWKRMHHME-UHFFFAOYSA-N
MW311.08 g/mol
LogP-0.86
Rot. Bonds4

About 4-(2,3-dihydroxypropylamino)-5-iodo-1H-pyrimidin-6-one

4-(2,3-dihydroxypropylamino)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136956912) has the molecular formula C7H10IN3O3 and a molecular weight of 311.08 g/mol. Its IUPAC name is 4-(2,3-dihydroxypropylamino)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,3-dihydroxypropylamino)-5-iodo-1H-pyrimidin-6-one
PubChem CID136956912
Molecular FormulaC7H10IN3O3
Molecular Weight311.08 g/mol
Exact Mass310.98
IUPAC Name4-(2,3-dihydroxypropylamino)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCC(O)CO)c1I
InChIInChI=1S/C7H10IN3O3/c8-5-6(9-1-4(13)2-12)10-3-11-7(5)14/h3-4,12-13H,1-2H2,(H2,9,10,11,14)
InChIKeyIQAOJHWKRMHHME-UHFFFAOYSA-N
XLogP-0.86
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.08
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(2,3-dihydroxypropylamino)-5-iodo-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-iodo-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790774
4-[(3,3-difluoro-2-hydroxypropyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136790785
2-amino-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one
CID 135451137
4-[(3S)-3-hydroxypyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136689234
4-[(3R)-3-hydroxypyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136689235
4-[3-(2-hydroxyethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136730528
4-(3,4-dihydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136766524
4-[(3-hydroxy-4-methoxybutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136805772
2-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136849667
4-(2,3-dimethoxypropylamino)-5-iodo-1H-pyrimidin-6-one
CID 136852195
4-(2-hydroxyethylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956024
4-(3-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956027

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroxypropylamino)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,3-dihydroxypropylamino)-5-iodo-1H-pyrimidin-6-one (CID 136956912) is 4-(2,3-dihydroxypropylamino)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,3-dihydroxypropylamino)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,3-dihydroxypropylamino)-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(NCC(O)CO)c1I.
What is the InChIKey of 4-(2,3-dihydroxypropylamino)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is IQAOJHWKRMHHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10IN3O3/c8-5-6(9-1-4(13)2-12)10-3-11-7(5)14/h3-4,12-13H,1-2H2,(H2,9,10,11,14).
What are the key properties of 4-(2,3-dihydroxypropylamino)-5-iodo-1H-pyrimidin-6-one?
4-(2,3-dihydroxypropylamino)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 311.08 g/mol, XLogP of -0.86, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroxypropylamino)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136956912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).