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

C13H16IN3S — CID 66297540

IUPAC2-(2,5-dimethylthiophen-3-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
SMILESCCc1nc(-c2cc(C)sc2C)nc(NC)c1I
InChIInChI=1S/C13H16IN3S/c1-5-10-11(14)13(15-4)17-12(16-10)9-6-7(2)18-8(9)3/h6H,5H2,1-4H3,(H,15,16,17)
InChIKeyZKXZOMQXEUILTI-UHFFFAOYSA-N
MW373.26 g/mol
LogP4.03
Rot. Bonds3

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

2-(2,5-dimethylthiophen-3-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine (PubChem CID 66297540) has the molecular formula C13H16IN3S and a molecular weight of 373.26 g/mol. Its IUPAC name is 2-(2,5-dimethylthiophen-3-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,5-dimethylthiophen-3-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
PubChem CID66297540
Molecular FormulaC13H16IN3S
Molecular Weight373.26 g/mol
Exact Mass373.01
IUPAC Name2-(2,5-dimethylthiophen-3-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
SMILESCCc1nc(-c2cc(C)sc2C)nc(NC)c1I
InChIInChI=1S/C13H16IN3S/c1-5-10-11(14)13(15-4)17-12(16-10)9-6-7(2)18-8(9)3/h6H,5H2,1-4H3,(H,15,16,17)
InChIKeyZKXZOMQXEUILTI-UHFFFAOYSA-N
XLogP4.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.26
LogP ≤ 54.03
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)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine (CID 66297540) is 2-(2,5-dimethylthiophen-3-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,5-dimethylthiophen-3-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(2,5-dimethylthiophen-3-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine is CCc1nc(-c2cc(C)sc2C)nc(NC)c1I.
What is the InChIKey of 2-(2,5-dimethylthiophen-3-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine?
The InChIKey is ZKXZOMQXEUILTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16IN3S/c1-5-10-11(14)13(15-4)17-12(16-10)9-6-7(2)18-8(9)3/h6H,5H2,1-4H3,(H,15,16,17).
What are the key properties of 2-(2,5-dimethylthiophen-3-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine?
2-(2,5-dimethylthiophen-3-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine has a molecular weight of 373.26 g/mol, XLogP of 4.03, 3 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)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66297540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).