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

C8H10IN3O — CID 136956595

IUPAC4-(cyclobutylamino)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CCC2)c1I
InChIInChI=1S/C8H10IN3O/c9-6-7(10-4-11-8(6)13)12-5-2-1-3-5/h4-5H,1-3H2,(H2,10,11,12,13)
InChIKeyDGLACSREXUPIDA-UHFFFAOYSA-N
MW291.09 g/mol
LogP1.34
Rot. Bonds2

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

4-(cyclobutylamino)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136956595) has the molecular formula C8H10IN3O and a molecular weight of 291.09 g/mol. Its IUPAC name is 4-(cyclobutylamino)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(cyclobutylamino)-5-iodo-1H-pyrimidin-6-one
PubChem CID136956595
Molecular FormulaC8H10IN3O
Molecular Weight291.09 g/mol
Exact Mass290.99
IUPAC Name4-(cyclobutylamino)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CCC2)c1I
InChIInChI=1S/C8H10IN3O/c9-6-7(10-4-11-8(6)13)12-5-2-1-3-5/h4-5H,1-3H2,(H2,10,11,12,13)
InChIKeyDGLACSREXUPIDA-UHFFFAOYSA-N
XLogP1.34
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.09
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(cyclobutylamino)-5-fluoro-1H-pyrimidin-6-one
CID 136380260
5-iodo-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786690
5-iodo-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136957048
6-[(3,3-Difluorocyclobutyl)amino]-5-iodo-3,4-dihydropyrimidin-4-one
CID 164651912
4-(5-aminopentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136689853
5-iodo-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696638
5-iodo-4-(octan-4-ylamino)-1H-pyrimidin-6-one
CID 136731498
4-(6-aminohexylamino)-5-iodo-1H-pyrimidin-6-one
CID 136755772
4-[3-bromopropyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136827323
4-[3-chloropropyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136827326
4-[2-bromoethyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136827329
4-[2-chloroethyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136827332

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylamino)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(cyclobutylamino)-5-iodo-1H-pyrimidin-6-one (CID 136956595) is 4-(cyclobutylamino)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(cyclobutylamino)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(cyclobutylamino)-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(NC2CCC2)c1I.
What is the InChIKey of 4-(cyclobutylamino)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is DGLACSREXUPIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN3O/c9-6-7(10-4-11-8(6)13)12-5-2-1-3-5/h4-5H,1-3H2,(H2,10,11,12,13).
What are the key properties of 4-(cyclobutylamino)-5-iodo-1H-pyrimidin-6-one?
4-(cyclobutylamino)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 291.09 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylamino)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136956595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).