4-[(3-hydroxycyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one

C8H10IN3O2 — CID 136956896

IUPAC4-[(3-hydroxycyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CC(O)C2)c1I
InChIInChI=1S/C8H10IN3O2/c9-6-7(10-3-11-8(6)14)12-4-1-5(13)2-4/h3-5,13H,1-2H2,(H2,10,11,12,14)
InChIKeyIHKFXBWKIOEYNZ-UHFFFAOYSA-N
MW307.09 g/mol
LogP0.31
Rot. Bonds2

About 4-[(3-hydroxycyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one

4-[(3-hydroxycyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136956896) has the molecular formula C8H10IN3O2 and a molecular weight of 307.09 g/mol. Its IUPAC name is 4-[(3-hydroxycyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-hydroxycyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136956896
Molecular FormulaC8H10IN3O2
Molecular Weight307.09 g/mol
Exact Mass306.98
IUPAC Name4-[(3-hydroxycyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CC(O)C2)c1I
InChIInChI=1S/C8H10IN3O2/c9-6-7(10-3-11-8(6)14)12-4-1-5(13)2-4/h3-5,13H,1-2H2,(H2,10,11,12,14)
InChIKeyIHKFXBWKIOEYNZ-UHFFFAOYSA-N
XLogP0.31
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.09
LogP ≤ 50.31
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

4-[(3-ethoxycyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136696629
5-iodo-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696638
4-(4-hydroxybutylamino)-5-iodo-1H-pyrimidin-6-one
CID 136772471
4-[(3-hydroxy-4-methoxybutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136805772
4-[cyclobutyl(3-hydroxypropyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136827307
4-[cyclobutyl(2-hydroxyethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136827316
4-(4-hydroxypentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136902425
4-(3-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956027
4-(3-hydroxybutylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956808
4-[(3-hydroxycyclobutyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136956892
5-bromo-4-[(3-hydroxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136956898
4-[(3-hydroxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136956899

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxycyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-hydroxycyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one (CID 136956896) is 4-[(3-hydroxycyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-hydroxycyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-hydroxycyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(NC2CC(O)C2)c1I.
What is the InChIKey of 4-[(3-hydroxycyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is IHKFXBWKIOEYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN3O2/c9-6-7(10-3-11-8(6)14)12-4-1-5(13)2-4/h3-5,13H,1-2H2,(H2,10,11,12,14).
What are the key properties of 4-[(3-hydroxycyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one?
4-[(3-hydroxycyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 307.09 g/mol, XLogP of 0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxycyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136956896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).