4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-amine

C15H23N5S — CID 63617389

IUPAC4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-amine
SMILESCc1cc2c(N3CCN(CCCCN)CC3)ncnc2s1
InChIInChI=1S/C15H23N5S/c1-12-10-13-14(17-11-18-15(13)21-12)20-8-6-19(7-9-20)5-3-2-4-16/h10-11H,2-9,16H2,1H3
InChIKeyDYZGGWIUCXGCKB-UHFFFAOYSA-N
MW305.45 g/mol
LogP1.86
Rot. Bonds5

About 4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-amine

4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-amine (PubChem CID 63617389) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-amine
PubChem CID63617389
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-amine
SMILESCc1cc2c(N3CCN(CCCCN)CC3)ncnc2s1
InChIInChI=1S/C15H23N5S/c1-12-10-13-14(17-11-18-15(13)21-12)20-8-6-19(7-9-20)5-3-2-4-16/h10-11H,2-9,16H2,1H3
InChIKeyDYZGGWIUCXGCKB-UHFFFAOYSA-N
XLogP1.86
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-amine 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 4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-amine?
The IUPAC name of 4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-amine (CID 63617389) is 4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-amine.
What is the SMILES notation for 4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-amine?
The canonical SMILES for 4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-amine is Cc1cc2c(N3CCN(CCCCN)CC3)ncnc2s1.
What is the InChIKey of 4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-amine?
The InChIKey is DYZGGWIUCXGCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-12-10-13-14(17-11-18-15(13)21-12)20-8-6-19(7-9-20)5-3-2-4-16/h10-11H,2-9,16H2,1H3.
What are the key properties of 4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-amine?
4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-amine has a molecular weight of 305.45 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-amine is sourced from PubChem (CID 63617389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).