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

C24H24N4S — CID 985301

IUPAC4-(4-benzylpiperazin-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCN(Cc3ccccc3)CC2)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C24H24N4S/c1-18-25-23(21-16-22(29-24(21)26-18)20-10-6-3-7-11-20)28-14-12-27(13-15-28)17-19-8-4-2-5-9-19/h2-11,16H,12-15,17H2,1H3
InChIKeyPSURYBSSGRYHMV-UHFFFAOYSA-N
MW400.55 g/mol
LogP4.99
Rot. Bonds4

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

4-(4-benzylpiperazin-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine (PubChem CID 985301) has the molecular formula C24H24N4S and a molecular weight of 400.55 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine
PubChem CID985301
Molecular FormulaC24H24N4S
Molecular Weight400.55 g/mol
Exact Mass400.17
IUPAC Name4-(4-benzylpiperazin-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCN(Cc3ccccc3)CC2)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C24H24N4S/c1-18-25-23(21-16-22(29-24(21)26-18)20-10-6-3-7-11-20)28-14-12-27(13-15-28)17-19-8-4-2-5-9-19/h2-11,16H,12-15,17H2,1H3
InChIKeyPSURYBSSGRYHMV-UHFFFAOYSA-N
XLogP4.99
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine (CID 985301) is 4-(4-benzylpiperazin-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine is Cc1nc(N2CCN(Cc3ccccc3)CC2)c2cc(-c3ccccc3)sc2n1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine?
The InChIKey is PSURYBSSGRYHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4S/c1-18-25-23(21-16-22(29-24(21)26-18)20-10-6-3-7-11-20)28-14-12-27(13-15-28)17-19-8-4-2-5-9-19/h2-11,16H,12-15,17H2,1H3.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine?
4-(4-benzylpiperazin-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine has a molecular weight of 400.55 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 985301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).