2-methyl-4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine

C18H20N4S — CID 2086721

IUPAC2-methyl-4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCN(C)CC2)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C18H20N4S/c1-13-19-17(22-10-8-21(2)9-11-22)15-12-16(23-18(15)20-13)14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3
InChIKeyRYIOABQQQQKPKS-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.42
Rot. Bonds2

About 2-methyl-4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine

2-methyl-4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine (PubChem CID 2086721) has the molecular formula C18H20N4S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-methyl-4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine
PubChem CID2086721
Molecular FormulaC18H20N4S
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Name2-methyl-4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCN(C)CC2)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C18H20N4S/c1-13-19-17(22-10-8-21(2)9-11-22)15-12-16(23-18(15)20-13)14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3
InChIKeyRYIOABQQQQKPKS-UHFFFAOYSA-N
XLogP3.42
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine 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-methyl-4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-methyl-4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine (CID 2086721) is 2-methyl-4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-methyl-4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine is Cc1nc(N2CCN(C)CC2)c2cc(-c3ccccc3)sc2n1.
What is the InChIKey of 2-methyl-4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine?
The InChIKey is RYIOABQQQQKPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4S/c1-13-19-17(22-10-8-21(2)9-11-22)15-12-16(23-18(15)20-13)14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 2-methyl-4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine?
2-methyl-4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine has a molecular weight of 324.45 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 2086721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).