5-methyl-4-phenyl-2-piperazin-1-ylthieno[2,3-d]pyrimidine

C17H18N4S — CID 3062911

IUPAC5-methyl-4-phenyl-2-piperazin-1-ylthieno[2,3-d]pyrimidine
SMILESCc1csc2nc(N3CCNCC3)nc(-c3ccccc3)c12
InChIInChI=1S/C17H18N4S/c1-12-11-22-16-14(12)15(13-5-3-2-4-6-13)19-17(20-16)21-9-7-18-8-10-21/h2-6,11,18H,7-10H2,1H3
InChIKeyPRCNRXJOWBHJHI-UHFFFAOYSA-N
MW310.43 g/mol
LogP3.08
Rot. Bonds2

About 5-methyl-4-phenyl-2-piperazin-1-ylthieno[2,3-d]pyrimidine

5-methyl-4-phenyl-2-piperazin-1-ylthieno[2,3-d]pyrimidine (PubChem CID 3062911) has the molecular formula C17H18N4S and a molecular weight of 310.43 g/mol. Its IUPAC name is 5-methyl-4-phenyl-2-piperazin-1-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-methyl-4-phenyl-2-piperazin-1-ylthieno[2,3-d]pyrimidine
PubChem CID3062911
Molecular FormulaC17H18N4S
Molecular Weight310.43 g/mol
Exact Mass310.13
IUPAC Name5-methyl-4-phenyl-2-piperazin-1-ylthieno[2,3-d]pyrimidine
SMILESCc1csc2nc(N3CCNCC3)nc(-c3ccccc3)c12
InChIInChI=1S/C17H18N4S/c1-12-11-22-16-14(12)15(13-5-3-2-4-6-13)19-17(20-16)21-9-7-18-8-10-21/h2-6,11,18H,7-10H2,1H3
InChIKeyPRCNRXJOWBHJHI-UHFFFAOYSA-N
XLogP3.08
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenyl-2-piperazin-1-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 5-methyl-4-phenyl-2-piperazin-1-ylthieno[2,3-d]pyrimidine (CID 3062911) is 5-methyl-4-phenyl-2-piperazin-1-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-methyl-4-phenyl-2-piperazin-1-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 5-methyl-4-phenyl-2-piperazin-1-ylthieno[2,3-d]pyrimidine is Cc1csc2nc(N3CCNCC3)nc(-c3ccccc3)c12.
What is the InChIKey of 5-methyl-4-phenyl-2-piperazin-1-ylthieno[2,3-d]pyrimidine?
The InChIKey is PRCNRXJOWBHJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4S/c1-12-11-22-16-14(12)15(13-5-3-2-4-6-13)19-17(20-16)21-9-7-18-8-10-21/h2-6,11,18H,7-10H2,1H3.
What are the key properties of 5-methyl-4-phenyl-2-piperazin-1-ylthieno[2,3-d]pyrimidine?
5-methyl-4-phenyl-2-piperazin-1-ylthieno[2,3-d]pyrimidine has a molecular weight of 310.43 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-2-piperazin-1-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 3062911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).