2,5-diamino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide

C13H9Cl2N5OS — CID 24738496

IUPAC2,5-diamino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1sc2nc(N)nc(-c3ccc(Cl)c(Cl)c3)c2c1N
InChIInChI=1S/C13H9Cl2N5OS/c14-5-2-1-4(3-6(5)15)9-7-8(16)10(11(17)21)22-12(7)20-13(18)19-9/h1-3H,16H2,(H2,17,21)(H2,18,19,20)
InChIKeyNZSGGOJDVRRWTL-UHFFFAOYSA-N
MW354.22 g/mol
LogP2.93
Rot. Bonds2

About 2,5-diamino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide

2,5-diamino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 24738496) has the molecular formula C13H9Cl2N5OS and a molecular weight of 354.22 g/mol. Its IUPAC name is 2,5-diamino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,5-diamino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID24738496
Molecular FormulaC13H9Cl2N5OS
Molecular Weight354.22 g/mol
Exact Mass352.99
IUPAC Name2,5-diamino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1sc2nc(N)nc(-c3ccc(Cl)c(Cl)c3)c2c1N
InChIInChI=1S/C13H9Cl2N5OS/c14-5-2-1-4(3-6(5)15)9-7-8(16)10(11(17)21)22-12(7)20-13(18)19-9/h1-3H,16H2,(H2,17,21)(H2,18,19,20)
InChIKeyNZSGGOJDVRRWTL-UHFFFAOYSA-N
XLogP2.93
TPSA120.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2,5-diamino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide 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-diamino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2,5-diamino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 24738496) is 2,5-diamino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,5-diamino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2,5-diamino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide is NC(=O)c1sc2nc(N)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.
What is the InChIKey of 2,5-diamino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is NZSGGOJDVRRWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N5OS/c14-5-2-1-4(3-6(5)15)9-7-8(16)10(11(17)21)22-12(7)20-13(18)19-9/h1-3H,16H2,(H2,17,21)(H2,18,19,20).
What are the key properties of 2,5-diamino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
2,5-diamino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 354.22 g/mol, XLogP of 2.93, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 24738496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).