2-(5-chlorothiophen-2-yl)-5-iodo-6-phenylpyrimidin-4-amine

C14H9ClIN3S — CID 66302604

IUPAC2-(5-chlorothiophen-2-yl)-5-iodo-6-phenylpyrimidin-4-amine
SMILESNc1nc(-c2ccc(Cl)s2)nc(-c2ccccc2)c1I
InChIInChI=1S/C14H9ClIN3S/c15-10-7-6-9(20-10)14-18-12(11(16)13(17)19-14)8-4-2-1-3-5-8/h1-7H,(H2,17,18,19)
InChIKeyHDJKASVURQZAIW-UHFFFAOYSA-N
MW413.67 g/mol
LogP4.71
Rot. Bonds2

About 2-(5-chlorothiophen-2-yl)-5-iodo-6-phenylpyrimidin-4-amine

2-(5-chlorothiophen-2-yl)-5-iodo-6-phenylpyrimidin-4-amine (PubChem CID 66302604) has the molecular formula C14H9ClIN3S and a molecular weight of 413.67 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-5-iodo-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-5-iodo-6-phenylpyrimidin-4-amine
PubChem CID66302604
Molecular FormulaC14H9ClIN3S
Molecular Weight413.67 g/mol
Exact Mass412.93
IUPAC Name2-(5-chlorothiophen-2-yl)-5-iodo-6-phenylpyrimidin-4-amine
SMILESNc1nc(-c2ccc(Cl)s2)nc(-c2ccccc2)c1I
InChIInChI=1S/C14H9ClIN3S/c15-10-7-6-9(20-10)14-18-12(11(16)13(17)19-14)8-4-2-1-3-5-8/h1-7H,(H2,17,18,19)
InChIKeyHDJKASVURQZAIW-UHFFFAOYSA-N
XLogP4.71
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.67
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(5-chlorothiophen-2-yl)-5-iodo-6-phenylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-5-iodo-6-phenylpyrimidin-4-amine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-5-iodo-6-phenylpyrimidin-4-amine (CID 66302604) is 2-(5-chlorothiophen-2-yl)-5-iodo-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-5-iodo-6-phenylpyrimidin-4-amine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-5-iodo-6-phenylpyrimidin-4-amine is Nc1nc(-c2ccc(Cl)s2)nc(-c2ccccc2)c1I.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-5-iodo-6-phenylpyrimidin-4-amine?
The InChIKey is HDJKASVURQZAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClIN3S/c15-10-7-6-9(20-10)14-18-12(11(16)13(17)19-14)8-4-2-1-3-5-8/h1-7H,(H2,17,18,19).
What are the key properties of 2-(5-chlorothiophen-2-yl)-5-iodo-6-phenylpyrimidin-4-amine?
2-(5-chlorothiophen-2-yl)-5-iodo-6-phenylpyrimidin-4-amine has a molecular weight of 413.67 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-5-iodo-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 66302604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).