4-(furan-2-yl)-5-iodo-6-methylsulfinylpyrimidin-2-amine

C9H8IN3O2S — CID 18507211

IUPAC4-(furan-2-yl)-5-iodo-6-methylsulfinylpyrimidin-2-amine
SMILESCS(=O)c1nc(N)nc(-c2ccco2)c1I
InChIInChI=1S/C9H8IN3O2S/c1-16(14)8-6(10)7(12-9(11)13-8)5-3-2-4-15-5/h2-4H,1H3,(H2,11,12,13)
InChIKeyVNETUQRKCJBHKQ-UHFFFAOYSA-N
MW349.15 g/mol
LogP1.66
Rot. Bonds2

About 4-(furan-2-yl)-5-iodo-6-methylsulfinylpyrimidin-2-amine

4-(furan-2-yl)-5-iodo-6-methylsulfinylpyrimidin-2-amine (PubChem CID 18507211) has the molecular formula C9H8IN3O2S and a molecular weight of 349.15 g/mol. Its IUPAC name is 4-(furan-2-yl)-5-iodo-6-methylsulfinylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-5-iodo-6-methylsulfinylpyrimidin-2-amine
PubChem CID18507211
Molecular FormulaC9H8IN3O2S
Molecular Weight349.15 g/mol
Exact Mass348.94
IUPAC Name4-(furan-2-yl)-5-iodo-6-methylsulfinylpyrimidin-2-amine
SMILESCS(=O)c1nc(N)nc(-c2ccco2)c1I
InChIInChI=1S/C9H8IN3O2S/c1-16(14)8-6(10)7(12-9(11)13-8)5-3-2-4-15-5/h2-4H,1H3,(H2,11,12,13)
InChIKeyVNETUQRKCJBHKQ-UHFFFAOYSA-N
XLogP1.66
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.15
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4,6-bis(furan-2-yl)pyrimidin-2-amine
CID 23020456
5-ethyl-4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine
CID 18507240
5-fluoro-6-(furan-2-yl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 18507317
2-amino-5-fluoro-4-(furan-2-yl)-1H-pyrimidin-6-one
CID 135724995
4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine
CID 18507652
6-chloro-2-(furan-2-yl)-4-methylpyridin-3-amine
CID 59355428
4,6-difluoro-2-(furan-2-yl)-5-iodopyrimidine
CID 164652077
4-(furan-2-yl)-5-phenylpyrimidin-2-amine
CID 134140522
3-(furan-2-yl)quinoxalin-2-amine
CID 102364345
1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]ethanone
CID 757187
4-tert-butyl-6-(furan-2-yl)-1,3,5-triazin-2-amine
CID 63868616
2,3-bis(furan-2-yl)-6,7-dimethylquinoxaline
CID 5125983

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-5-iodo-6-methylsulfinylpyrimidin-2-amine?
The IUPAC name of 4-(furan-2-yl)-5-iodo-6-methylsulfinylpyrimidin-2-amine (CID 18507211) is 4-(furan-2-yl)-5-iodo-6-methylsulfinylpyrimidin-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-5-iodo-6-methylsulfinylpyrimidin-2-amine?
The canonical SMILES for 4-(furan-2-yl)-5-iodo-6-methylsulfinylpyrimidin-2-amine is CS(=O)c1nc(N)nc(-c2ccco2)c1I.
What is the InChIKey of 4-(furan-2-yl)-5-iodo-6-methylsulfinylpyrimidin-2-amine?
The InChIKey is VNETUQRKCJBHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8IN3O2S/c1-16(14)8-6(10)7(12-9(11)13-8)5-3-2-4-15-5/h2-4H,1H3,(H2,11,12,13).
What are the key properties of 4-(furan-2-yl)-5-iodo-6-methylsulfinylpyrimidin-2-amine?
4-(furan-2-yl)-5-iodo-6-methylsulfinylpyrimidin-2-amine has a molecular weight of 349.15 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-5-iodo-6-methylsulfinylpyrimidin-2-amine is sourced from PubChem (CID 18507211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).