4-[2-(2-hydroxypropylamino)ethylamino]-5-iodo-1H-pyrimidin-6-one

C9H15IN4O2 — CID 136979111

IUPAC4-[2-(2-hydroxypropylamino)ethylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCC(O)CNCCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C9H15IN4O2/c1-6(15)4-11-2-3-12-8-7(10)9(16)14-5-13-8/h5-6,11,15H,2-4H2,1H3,(H2,12,13,14,16)
InChIKeyJPDWLTHLEKVSPI-UHFFFAOYSA-N
MW338.15 g/mol
LogP-0.24
Rot. Bonds6

About 4-[2-(2-hydroxypropylamino)ethylamino]-5-iodo-1H-pyrimidin-6-one

4-[2-(2-hydroxypropylamino)ethylamino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136979111) has the molecular formula C9H15IN4O2 and a molecular weight of 338.15 g/mol. Its IUPAC name is 4-[2-(2-hydroxypropylamino)ethylamino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(2-hydroxypropylamino)ethylamino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136979111
Molecular FormulaC9H15IN4O2
Molecular Weight338.15 g/mol
Exact Mass338.02
IUPAC Name4-[2-(2-hydroxypropylamino)ethylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCC(O)CNCCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C9H15IN4O2/c1-6(15)4-11-2-3-12-8-7(10)9(16)14-5-13-8/h5-6,11,15H,2-4H2,1H3,(H2,12,13,14,16)
InChIKeyJPDWLTHLEKVSPI-UHFFFAOYSA-N
XLogP-0.24
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(3,3-difluoro-2-hydroxypropyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136790785
5-iodo-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820293
2-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136849667
4-(2-hydroxyethylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956024
4-(2-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956075
5-iodo-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one
CID 136956573
4-(3-hydroxybutylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956808
4-(2,3-dihydroxypropylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956912
4-(2-hydroxybutylamino)-5-iodo-1H-pyrimidin-6-one
CID 136957160
4-[(2-hydroxy-3-methylbutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136957164
4-(2-ethoxypropylamino)-5-iodo-1H-pyrimidin-6-one
CID 136957226
4-[(3-hydroxy-2-methylbutan-2-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136957254

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxypropylamino)ethylamino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(2-hydroxypropylamino)ethylamino]-5-iodo-1H-pyrimidin-6-one (CID 136979111) is 4-[2-(2-hydroxypropylamino)ethylamino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(2-hydroxypropylamino)ethylamino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(2-hydroxypropylamino)ethylamino]-5-iodo-1H-pyrimidin-6-one is CC(O)CNCCNc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[2-(2-hydroxypropylamino)ethylamino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is JPDWLTHLEKVSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15IN4O2/c1-6(15)4-11-2-3-12-8-7(10)9(16)14-5-13-8/h5-6,11,15H,2-4H2,1H3,(H2,12,13,14,16).
What are the key properties of 4-[2-(2-hydroxypropylamino)ethylamino]-5-iodo-1H-pyrimidin-6-one?
4-[2-(2-hydroxypropylamino)ethylamino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 338.15 g/mol, XLogP of -0.24, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxypropylamino)ethylamino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136979111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).