4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-iodophenyl)pyrimidin-2-amine

C15H13IN4S — CID 10001471

IUPAC4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-iodophenyl)pyrimidin-2-amine
SMILESCc1nc(C)c(-c2ccnc(Nc3ccccc3I)n2)s1
InChIInChI=1S/C15H13IN4S/c1-9-14(21-10(2)18-9)13-7-8-17-15(20-13)19-12-6-4-3-5-11(12)16/h3-8H,1-2H3,(H,17,19,20)
InChIKeyPAQNDCFNCULGJZ-UHFFFAOYSA-N
MW408.27 g/mol
LogP4.57
Rot. Bonds3

About 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-iodophenyl)pyrimidin-2-amine

4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-iodophenyl)pyrimidin-2-amine (PubChem CID 10001471) has the molecular formula C15H13IN4S and a molecular weight of 408.27 g/mol. Its IUPAC name is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-iodophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-iodophenyl)pyrimidin-2-amine
PubChem CID10001471
Molecular FormulaC15H13IN4S
Molecular Weight408.27 g/mol
Exact Mass407.99
IUPAC Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-iodophenyl)pyrimidin-2-amine
SMILESCc1nc(C)c(-c2ccnc(Nc3ccccc3I)n2)s1
InChIInChI=1S/C15H13IN4S/c1-9-14(21-10(2)18-9)13-7-8-17-15(20-13)19-12-6-4-3-5-11(12)16/h3-8H,1-2H3,(H,17,19,20)
InChIKeyPAQNDCFNCULGJZ-UHFFFAOYSA-N
XLogP4.57
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.27
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-iodophenyl)pyrimidin-2-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 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-iodophenyl)pyrimidin-2-amine?
The IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-iodophenyl)pyrimidin-2-amine (CID 10001471) is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-iodophenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-iodophenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-iodophenyl)pyrimidin-2-amine is Cc1nc(C)c(-c2ccnc(Nc3ccccc3I)n2)s1.
What is the InChIKey of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-iodophenyl)pyrimidin-2-amine?
The InChIKey is PAQNDCFNCULGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN4S/c1-9-14(21-10(2)18-9)13-7-8-17-15(20-13)19-12-6-4-3-5-11(12)16/h3-8H,1-2H3,(H,17,19,20).
What are the key properties of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-iodophenyl)pyrimidin-2-amine?
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-iodophenyl)pyrimidin-2-amine has a molecular weight of 408.27 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-iodophenyl)pyrimidin-2-amine is sourced from PubChem (CID 10001471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).