5-(aminomethyl)-2-(cyclopropylamino)-4-phenylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine

C18H21N5OS — CID 143513305

IUPAC5-(aminomethyl)-2-(cyclopropylamino)-4-phenylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine
SMILESCN.NCc1c(C=O)sc2nc(NC3CC3)nc(-c3ccccc3)c12
InChIInChI=1S/C17H16N4OS.CH5N/c18-8-12-13(9-22)23-16-14(12)15(10-4-2-1-3-5-10)20-17(21-16)19-11-6-7-11;1-2/h1-5,9,11H,6-8,18H2,(H,19,20,21);2H2,1H3
InChIKeyUFJLMAQDVDDXIJ-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.78
Rot. Bonds5

About 5-(aminomethyl)-2-(cyclopropylamino)-4-phenylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine

5-(aminomethyl)-2-(cyclopropylamino)-4-phenylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine (PubChem CID 143513305) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(cyclopropylamino)-4-phenylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine.

Molecular Properties

Compound Name5-(aminomethyl)-2-(cyclopropylamino)-4-phenylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine
PubChem CID143513305
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name5-(aminomethyl)-2-(cyclopropylamino)-4-phenylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine
SMILESCN.NCc1c(C=O)sc2nc(NC3CC3)nc(-c3ccccc3)c12
InChIInChI=1S/C17H16N4OS.CH5N/c18-8-12-13(9-22)23-16-14(12)15(10-4-2-1-3-5-10)20-17(21-16)19-11-6-7-11;1-2/h1-5,9,11H,6-8,18H2,(H,19,20,21);2H2,1H3
InChIKeyUFJLMAQDVDDXIJ-UHFFFAOYSA-N
XLogP2.78
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-(aminomethyl)-2-(cyclopropylamino)-4-phenylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine 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-(aminomethyl)-2-(cyclopropylamino)-4-phenylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine?
The IUPAC name of 5-(aminomethyl)-2-(cyclopropylamino)-4-phenylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine (CID 143513305) is 5-(aminomethyl)-2-(cyclopropylamino)-4-phenylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine.
What is the SMILES notation for 5-(aminomethyl)-2-(cyclopropylamino)-4-phenylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine?
The canonical SMILES for 5-(aminomethyl)-2-(cyclopropylamino)-4-phenylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine is CN.NCc1c(C=O)sc2nc(NC3CC3)nc(-c3ccccc3)c12.
What is the InChIKey of 5-(aminomethyl)-2-(cyclopropylamino)-4-phenylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine?
The InChIKey is UFJLMAQDVDDXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS.CH5N/c18-8-12-13(9-22)23-16-14(12)15(10-4-2-1-3-5-10)20-17(21-16)19-11-6-7-11;1-2/h1-5,9,11H,6-8,18H2,(H,19,20,21);2H2,1H3.
What are the key properties of 5-(aminomethyl)-2-(cyclopropylamino)-4-phenylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine?
5-(aminomethyl)-2-(cyclopropylamino)-4-phenylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine has a molecular weight of 355.47 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-(cyclopropylamino)-4-phenylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine is sourced from PubChem (CID 143513305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).