4-(3-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one

C7H10IN3O2 — CID 136956027

IUPAC4-(3-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCCO)c1I
InChIInChI=1S/C7H10IN3O2/c8-5-6(9-2-1-3-12)10-4-11-7(5)13/h4,12H,1-3H2,(H2,9,10,11,13)
InChIKeyKHUODCZGSMGDLL-UHFFFAOYSA-N
MW295.08 g/mol
LogP0.17
Rot. Bonds4

About 4-(3-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one

4-(3-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136956027) has the molecular formula C7H10IN3O2 and a molecular weight of 295.08 g/mol. Its IUPAC name is 4-(3-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one
PubChem CID136956027
Molecular FormulaC7H10IN3O2
Molecular Weight295.08 g/mol
Exact Mass294.98
IUPAC Name4-(3-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCCO)c1I
InChIInChI=1S/C7H10IN3O2/c8-5-6(9-2-1-3-12)10-4-11-7(5)13/h4,12H,1-3H2,(H2,9,10,11,13)
InChIKeyKHUODCZGSMGDLL-UHFFFAOYSA-N
XLogP0.17
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.08
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(2,2-difluoro-3-hydroxypropyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136849688
4-[3-(2-hydroxyethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136730528
4-(5-hydroxypentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136759217
4-(4-hydroxybutylamino)-5-iodo-1H-pyrimidin-6-one
CID 136772471
4-[cyclobutyl(3-hydroxypropyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136827307
4-(6-hydroxyhexylamino)-5-iodo-1H-pyrimidin-6-one
CID 136866832
4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136901120
4-(4-hydroxypentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136902425
4-(3-ethoxypropylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956013
4-(2-hydroxyethylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956024
5-bromo-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one
CID 136956029
4-(3-hydroxypropylamino)-1H-pyrimidin-6-one
CID 136956030

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one (CID 136956027) is 4-(3-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(NCCCO)c1I.
What is the InChIKey of 4-(3-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is KHUODCZGSMGDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10IN3O2/c8-5-6(9-2-1-3-12)10-4-11-7(5)13/h4,12H,1-3H2,(H2,9,10,11,13).
What are the key properties of 4-(3-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one?
4-(3-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 295.08 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136956027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).