2-(2,5-dimethylthiophen-3-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine

C12H14IN3S — CID 66296123

IUPAC2-(2,5-dimethylthiophen-3-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(-c2cc(C)sc2C)nc(C)c1I
InChIInChI=1S/C12H14IN3S/c1-6-5-9(8(3)17-6)11-15-7(2)10(13)12(14-4)16-11/h5H,1-4H3,(H,14,15,16)
InChIKeyULIVXDFRZPGBIK-UHFFFAOYSA-N
MW359.24 g/mol
LogP3.78
Rot. Bonds2

About 2-(2,5-dimethylthiophen-3-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine

2-(2,5-dimethylthiophen-3-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine (PubChem CID 66296123) has the molecular formula C12H14IN3S and a molecular weight of 359.24 g/mol. Its IUPAC name is 2-(2,5-dimethylthiophen-3-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,5-dimethylthiophen-3-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
PubChem CID66296123
Molecular FormulaC12H14IN3S
Molecular Weight359.24 g/mol
Exact Mass359.00
IUPAC Name2-(2,5-dimethylthiophen-3-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(-c2cc(C)sc2C)nc(C)c1I
InChIInChI=1S/C12H14IN3S/c1-6-5-9(8(3)17-6)11-15-7(2)10(13)12(14-4)16-11/h5H,1-4H3,(H,14,15,16)
InChIKeyULIVXDFRZPGBIK-UHFFFAOYSA-N
XLogP3.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.24
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine (CID 66296123) is 2-(2,5-dimethylthiophen-3-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,5-dimethylthiophen-3-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(2,5-dimethylthiophen-3-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine is CNc1nc(-c2cc(C)sc2C)nc(C)c1I.
What is the InChIKey of 2-(2,5-dimethylthiophen-3-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine?
The InChIKey is ULIVXDFRZPGBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14IN3S/c1-6-5-9(8(3)17-6)11-15-7(2)10(13)12(14-4)16-11/h5H,1-4H3,(H,14,15,16).
What are the key properties of 2-(2,5-dimethylthiophen-3-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine?
2-(2,5-dimethylthiophen-3-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine has a molecular weight of 359.24 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylthiophen-3-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 66296123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).