4-(4-hydroxybutylamino)-5-iodo-1H-pyrimidin-6-one

C8H12IN3O2 — CID 136772471

IUPAC4-(4-hydroxybutylamino)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCCCO)c1I
InChIInChI=1S/C8H12IN3O2/c9-6-7(10-3-1-2-4-13)11-5-12-8(6)14/h5,13H,1-4H2,(H2,10,11,12,14)
InChIKeyWDSRNGQAUQSYIK-UHFFFAOYSA-N
MW309.11 g/mol
LogP0.56
Rot. Bonds5

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

4-(4-hydroxybutylamino)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136772471) has the molecular formula C8H12IN3O2 and a molecular weight of 309.11 g/mol. Its IUPAC name is 4-(4-hydroxybutylamino)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-hydroxybutylamino)-5-iodo-1H-pyrimidin-6-one
PubChem CID136772471
Molecular FormulaC8H12IN3O2
Molecular Weight309.11 g/mol
Exact Mass309.00
IUPAC Name4-(4-hydroxybutylamino)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCCCO)c1I
InChIInChI=1S/C8H12IN3O2/c9-6-7(10-3-1-2-4-13)11-5-12-8(6)14/h5,13H,1-4H2,(H2,10,11,12,14)
InChIKeyWDSRNGQAUQSYIK-UHFFFAOYSA-N
XLogP0.56
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.11
LogP ≤ 50.56
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

6-Amino-2-(4-hydroxybutylamino)-5-iodo-3-methylpyrimidin-4-one
CID 169947188
4-[4-hydroxybutyl(propyl)amino]-1H-pyrimidin-6-one
CID 135412672
4-[4-hydroxybutyl(methyl)amino]-1H-pyrimidin-6-one
CID 135453817
4-[ethyl(4-hydroxybutyl)amino]-1H-pyrimidin-6-one
CID 135453823
4-[butyl(4-hydroxybutyl)amino]-1H-pyrimidin-6-one
CID 135492319
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-[5-hydroxypentyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136766324
5-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772467
5-chloro-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772470
4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772474
5-bromo-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772475

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxybutylamino)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-hydroxybutylamino)-5-iodo-1H-pyrimidin-6-one (CID 136772471) is 4-(4-hydroxybutylamino)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-hydroxybutylamino)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-hydroxybutylamino)-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(NCCCCO)c1I.
What is the InChIKey of 4-(4-hydroxybutylamino)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is WDSRNGQAUQSYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12IN3O2/c9-6-7(10-3-1-2-4-13)11-5-12-8(6)14/h5,13H,1-4H2,(H2,10,11,12,14).
What are the key properties of 4-(4-hydroxybutylamino)-5-iodo-1H-pyrimidin-6-one?
4-(4-hydroxybutylamino)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 309.11 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxybutylamino)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136772471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).