4-(butan-2-ylamino)-5-iodo-1H-pyrimidin-6-one

C8H12IN3O — CID 136955890

IUPAC4-(butan-2-ylamino)-5-iodo-1H-pyrimidin-6-one
SMILESCCC(C)Nc1nc[nH]c(=O)c1I
InChIInChI=1S/C8H12IN3O/c1-3-5(2)12-7-6(9)8(13)11-4-10-7/h4-5H,3H2,1-2H3,(H2,10,11,12,13)
InChIKeyMLVASRQVGSRANR-UHFFFAOYSA-N
MW293.11 g/mol
LogP1.58
Rot. Bonds3

About 4-(butan-2-ylamino)-5-iodo-1H-pyrimidin-6-one

4-(butan-2-ylamino)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136955890) has the molecular formula C8H12IN3O and a molecular weight of 293.11 g/mol. Its IUPAC name is 4-(butan-2-ylamino)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(butan-2-ylamino)-5-iodo-1H-pyrimidin-6-one
PubChem CID136955890
Molecular FormulaC8H12IN3O
Molecular Weight293.11 g/mol
Exact Mass293.00
IUPAC Name4-(butan-2-ylamino)-5-iodo-1H-pyrimidin-6-one
SMILESCCC(C)Nc1nc[nH]c(=O)c1I
InChIInChI=1S/C8H12IN3O/c1-3-5(2)12-7-6(9)8(13)11-4-10-7/h4-5H,3H2,1-2H3,(H2,10,11,12,13)
InChIKeyMLVASRQVGSRANR-UHFFFAOYSA-N
XLogP1.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.11
LogP ≤ 51.58
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

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
5-iodo-4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 136957957
5-iodo-4-[propyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136971136
5-iodo-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136971139
6-[(3,3-Difluorocyclobutyl)amino]-5-iodo-3,4-dihydropyrimidin-4-one
CID 164651912
5-methyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136291337
4-[butan-2-yl(ethyl)amino]-1H-pyrimidin-6-one
CID 136449958
3-Methyl-6-(propan-2-ylamino)pyrimidin-4-one
CID 169237700
6-(Cyclopropylamino)-3-methylpyrimidin-4-one
CID 177195560
5-amino-4-(butan-2-ylamino)-1H-pyrimidin-6-one
CID 135575730
2-(Cyclopropylamino)-5-iodo-6-methylpyrimidin-4(3H)-one
CID 136225955

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylamino)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(butan-2-ylamino)-5-iodo-1H-pyrimidin-6-one (CID 136955890) is 4-(butan-2-ylamino)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(butan-2-ylamino)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(butan-2-ylamino)-5-iodo-1H-pyrimidin-6-one is CCC(C)Nc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-(butan-2-ylamino)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is MLVASRQVGSRANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12IN3O/c1-3-5(2)12-7-6(9)8(13)11-4-10-7/h4-5H,3H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 4-(butan-2-ylamino)-5-iodo-1H-pyrimidin-6-one?
4-(butan-2-ylamino)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 293.11 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylamino)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136955890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).