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

C16H16N6OS — CID 57399561

IUPAC5-amino-4-(3-aminophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(N)c3)c2c1N
InChIInChI=1S/C16H16N6OS/c17-8-3-1-2-7(6-8)12-10-11(18)13(14(19)23)24-15(10)22-16(21-12)20-9-4-5-9/h1-3,6,9H,4-5,17-18H2,(H2,19,23)(H,20,21,22)
InChIKeyJUNUOUUZHDRSEL-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.20
Rot. Bonds4

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

5-amino-4-(3-aminophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 57399561) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is 5-amino-4-(3-aminophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-4-(3-aminophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID57399561
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC Name5-amino-4-(3-aminophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(N)c3)c2c1N
InChIInChI=1S/C16H16N6OS/c17-8-3-1-2-7(6-8)12-10-11(18)13(14(19)23)24-15(10)22-16(21-12)20-9-4-5-9/h1-3,6,9H,4-5,17-18H2,(H2,19,23)(H,20,21,22)
InChIKeyJUNUOUUZHDRSEL-UHFFFAOYSA-N
XLogP2.20
TPSA132.94 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-aminophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-4-(3-aminophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide (CID 57399561) is 5-amino-4-(3-aminophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-4-(3-aminophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-4-(3-aminophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide is NC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(N)c3)c2c1N.
What is the InChIKey of 5-amino-4-(3-aminophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is JUNUOUUZHDRSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6OS/c17-8-3-1-2-7(6-8)12-10-11(18)13(14(19)23)24-15(10)22-16(21-12)20-9-4-5-9/h1-3,6,9H,4-5,17-18H2,(H2,19,23)(H,20,21,22).
What are the key properties of 5-amino-4-(3-aminophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-4-(3-aminophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.20, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-aminophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 57399561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).