2-chloro-7-phenyl-4-piperazin-1-ylthieno[3,2-d]pyrimidine

C16H15ClN4S — CID 46228432

IUPAC2-chloro-7-phenyl-4-piperazin-1-ylthieno[3,2-d]pyrimidine
SMILESClc1nc(N2CCNCC2)c2scc(-c3ccccc3)c2n1
InChIInChI=1S/C16H15ClN4S/c17-16-19-13-12(11-4-2-1-3-5-11)10-22-14(13)15(20-16)21-8-6-18-7-9-21/h1-5,10,18H,6-9H2
InChIKeyNKNFFXNMVSDGOP-UHFFFAOYSA-N
MW330.84 g/mol
LogP3.42
Rot. Bonds2

About 2-chloro-7-phenyl-4-piperazin-1-ylthieno[3,2-d]pyrimidine

2-chloro-7-phenyl-4-piperazin-1-ylthieno[3,2-d]pyrimidine (PubChem CID 46228432) has the molecular formula C16H15ClN4S and a molecular weight of 330.84 g/mol. Its IUPAC name is 2-chloro-7-phenyl-4-piperazin-1-ylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-7-phenyl-4-piperazin-1-ylthieno[3,2-d]pyrimidine
PubChem CID46228432
Molecular FormulaC16H15ClN4S
Molecular Weight330.84 g/mol
Exact Mass330.07
IUPAC Name2-chloro-7-phenyl-4-piperazin-1-ylthieno[3,2-d]pyrimidine
SMILESClc1nc(N2CCNCC2)c2scc(-c3ccccc3)c2n1
InChIInChI=1S/C16H15ClN4S/c17-16-19-13-12(11-4-2-1-3-5-11)10-22-14(13)15(20-16)21-8-6-18-7-9-21/h1-5,10,18H,6-9H2
InChIKeyNKNFFXNMVSDGOP-UHFFFAOYSA-N
XLogP3.42
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-phenyl-4-piperazin-1-ylthieno[3,2-d]pyrimidine?
The IUPAC name of 2-chloro-7-phenyl-4-piperazin-1-ylthieno[3,2-d]pyrimidine (CID 46228432) is 2-chloro-7-phenyl-4-piperazin-1-ylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 2-chloro-7-phenyl-4-piperazin-1-ylthieno[3,2-d]pyrimidine?
The canonical SMILES for 2-chloro-7-phenyl-4-piperazin-1-ylthieno[3,2-d]pyrimidine is Clc1nc(N2CCNCC2)c2scc(-c3ccccc3)c2n1.
What is the InChIKey of 2-chloro-7-phenyl-4-piperazin-1-ylthieno[3,2-d]pyrimidine?
The InChIKey is NKNFFXNMVSDGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4S/c17-16-19-13-12(11-4-2-1-3-5-11)10-22-14(13)15(20-16)21-8-6-18-7-9-21/h1-5,10,18H,6-9H2.
What are the key properties of 2-chloro-7-phenyl-4-piperazin-1-ylthieno[3,2-d]pyrimidine?
2-chloro-7-phenyl-4-piperazin-1-ylthieno[3,2-d]pyrimidine has a molecular weight of 330.84 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-phenyl-4-piperazin-1-ylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 46228432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).