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

C16H13Cl2N5OS — CID 24738493

IUPAC5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(Cl)c(Cl)c3)c2c1N
InChIInChI=1S/C16H13Cl2N5OS/c17-8-4-1-6(5-9(8)18)12-10-11(19)13(14(20)24)25-15(10)23-16(22-12)21-7-2-3-7/h1,4-5,7H,2-3,19H2,(H2,20,24)(H,21,22,23)
InChIKeyQDFKGLKTIPWNOS-UHFFFAOYSA-N
MW394.29 g/mol
LogP3.92
Rot. Bonds4

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

5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 24738493) has the molecular formula C16H13Cl2N5OS and a molecular weight of 394.29 g/mol. Its IUPAC name is 5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID24738493
Molecular FormulaC16H13Cl2N5OS
Molecular Weight394.29 g/mol
Exact Mass393.02
IUPAC Name5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(Cl)c(Cl)c3)c2c1N
InChIInChI=1S/C16H13Cl2N5OS/c17-8-4-1-6(5-9(8)18)12-10-11(19)13(14(20)24)25-15(10)23-16(22-12)21-7-2-3-7/h1,4-5,7H,2-3,19H2,(H2,20,24)(H,21,22,23)
InChIKeyQDFKGLKTIPWNOS-UHFFFAOYSA-N
XLogP3.92
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.29
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-amino-2-(cyclopropylamino)-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 5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 24738493) is 5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide is NC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.
What is the InChIKey of 5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is QDFKGLKTIPWNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5OS/c17-8-4-1-6(5-9(8)18)12-10-11(19)13(14(20)24)25-15(10)23-16(22-12)21-7-2-3-7/h1,4-5,7H,2-3,19H2,(H2,20,24)(H,21,22,23).
What are the key properties of 5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 394.29 g/mol, XLogP of 3.92, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 24738493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).