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

C17H17N5O2S — CID 57399563

IUPAC5-amino-2-(cyclopropylamino)-4-(3-hydroxy-4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(-c2nc(NC3CC3)nc3sc(C(N)=O)c(N)c23)cc1O
InChIInChI=1S/C17H17N5O2S/c1-7-2-3-8(6-10(7)23)13-11-12(18)14(15(19)24)25-16(11)22-17(21-13)20-9-4-5-9/h2-3,6,9,23H,4-5,18H2,1H3,(H2,19,24)(H,20,21,22)
InChIKeyDGRUURZRKSORIM-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.63
Rot. Bonds4

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

5-amino-2-(cyclopropylamino)-4-(3-hydroxy-4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 57399563) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 5-amino-2-(cyclopropylamino)-4-(3-hydroxy-4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-2-(cyclopropylamino)-4-(3-hydroxy-4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID57399563
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name5-amino-2-(cyclopropylamino)-4-(3-hydroxy-4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(-c2nc(NC3CC3)nc3sc(C(N)=O)c(N)c23)cc1O
InChIInChI=1S/C17H17N5O2S/c1-7-2-3-8(6-10(7)23)13-11-12(18)14(15(19)24)25-16(11)22-17(21-13)20-9-4-5-9/h2-3,6,9,23H,4-5,18H2,1H3,(H2,19,24)(H,20,21,22)
InChIKeyDGRUURZRKSORIM-UHFFFAOYSA-N
XLogP2.63
TPSA127.15 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 5-amino-2-(cyclopropylamino)-4-(3-hydroxy-4-methylphenyl)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-hydroxy-4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-2-(cyclopropylamino)-4-(3-hydroxy-4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 57399563) is 5-amino-2-(cyclopropylamino)-4-(3-hydroxy-4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-2-(cyclopropylamino)-4-(3-hydroxy-4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-2-(cyclopropylamino)-4-(3-hydroxy-4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1ccc(-c2nc(NC3CC3)nc3sc(C(N)=O)c(N)c23)cc1O.
What is the InChIKey of 5-amino-2-(cyclopropylamino)-4-(3-hydroxy-4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is DGRUURZRKSORIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-7-2-3-8(6-10(7)23)13-11-12(18)14(15(19)24)25-16(11)22-17(21-13)20-9-4-5-9/h2-3,6,9,23H,4-5,18H2,1H3,(H2,19,24)(H,20,21,22).
What are the key properties of 5-amino-2-(cyclopropylamino)-4-(3-hydroxy-4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-2-(cyclopropylamino)-4-(3-hydroxy-4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.63, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(cyclopropylamino)-4-(3-hydroxy-4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 57399563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).