2-amino-N-(2-amino-2-oxoethyl)-4-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide

C17H17N5O2S — CID 11256775

IUPAC2-amino-N-(2-amino-2-oxoethyl)-4-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(-c2nc(N)nc3sc(C(=O)NCC(N)=O)cc23)c(C)c1
InChIInChI=1S/C17H17N5O2S/c1-8-3-4-10(9(2)5-8)14-11-6-12(15(24)20-7-13(18)23)25-16(11)22-17(19)21-14/h3-6H,7H2,1-2H3,(H2,18,23)(H,20,24)(H2,19,21,22)
InChIKeySVENBLASGCFLED-UHFFFAOYSA-N
MW355.42 g/mol
LogP1.77
Rot. Bonds4

About 2-amino-N-(2-amino-2-oxoethyl)-4-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide

2-amino-N-(2-amino-2-oxoethyl)-4-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 11256775) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-amino-N-(2-amino-2-oxoethyl)-4-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-amino-2-oxoethyl)-4-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID11256775
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name2-amino-N-(2-amino-2-oxoethyl)-4-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(-c2nc(N)nc3sc(C(=O)NCC(N)=O)cc23)c(C)c1
InChIInChI=1S/C17H17N5O2S/c1-8-3-4-10(9(2)5-8)14-11-6-12(15(24)20-7-13(18)23)25-16(11)22-17(19)21-14/h3-6H,7H2,1-2H3,(H2,18,23)(H,20,24)(H2,19,21,22)
InChIKeySVENBLASGCFLED-UHFFFAOYSA-N
XLogP1.77
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-(2-amino-2-oxoethyl)-4-(2,4-dimethylphenyl)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-amino-N-(2-amino-2-oxoethyl)-4-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-4-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 11256775) is 2-amino-N-(2-amino-2-oxoethyl)-4-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-amino-N-(2-amino-2-oxoethyl)-4-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-amino-N-(2-amino-2-oxoethyl)-4-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1ccc(-c2nc(N)nc3sc(C(=O)NCC(N)=O)cc23)c(C)c1.
What is the InChIKey of 2-amino-N-(2-amino-2-oxoethyl)-4-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is SVENBLASGCFLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-8-3-4-10(9(2)5-8)14-11-6-12(15(24)20-7-13(18)23)25-16(11)22-17(19)21-14/h3-6H,7H2,1-2H3,(H2,18,23)(H,20,24)(H2,19,21,22).
What are the key properties of 2-amino-N-(2-amino-2-oxoethyl)-4-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
2-amino-N-(2-amino-2-oxoethyl)-4-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-amino-2-oxoethyl)-4-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 11256775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).