2-chloro-6-methyl-5-phenyl-4-piperazin-1-ylthieno[2,3-d]pyrimidine

C17H17ClN4S — CID 82065647

IUPAC2-chloro-6-methyl-5-phenyl-4-piperazin-1-ylthieno[2,3-d]pyrimidine
SMILESCc1sc2nc(Cl)nc(N3CCNCC3)c2c1-c1ccccc1
InChIInChI=1S/C17H17ClN4S/c1-11-13(12-5-3-2-4-6-12)14-15(22-9-7-19-8-10-22)20-17(18)21-16(14)23-11/h2-6,19H,7-10H2,1H3
InChIKeyHJDWPRHLTCBQNA-UHFFFAOYSA-N
MW344.87 g/mol
LogP3.73
Rot. Bonds2

About 2-chloro-6-methyl-5-phenyl-4-piperazin-1-ylthieno[2,3-d]pyrimidine

2-chloro-6-methyl-5-phenyl-4-piperazin-1-ylthieno[2,3-d]pyrimidine (PubChem CID 82065647) has the molecular formula C17H17ClN4S and a molecular weight of 344.87 g/mol. Its IUPAC name is 2-chloro-6-methyl-5-phenyl-4-piperazin-1-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-6-methyl-5-phenyl-4-piperazin-1-ylthieno[2,3-d]pyrimidine
PubChem CID82065647
Molecular FormulaC17H17ClN4S
Molecular Weight344.87 g/mol
Exact Mass344.09
IUPAC Name2-chloro-6-methyl-5-phenyl-4-piperazin-1-ylthieno[2,3-d]pyrimidine
SMILESCc1sc2nc(Cl)nc(N3CCNCC3)c2c1-c1ccccc1
InChIInChI=1S/C17H17ClN4S/c1-11-13(12-5-3-2-4-6-12)14-15(22-9-7-19-8-10-22)20-17(18)21-16(14)23-11/h2-6,19H,7-10H2,1H3
InChIKeyHJDWPRHLTCBQNA-UHFFFAOYSA-N
XLogP3.73
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.87
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-methyl-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 2547146
4-(1,4-diazepan-1-yl)-5-(4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidine
CID 28848315
2-chloro-4-piperazin-1-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 46228417
4-(4-benzylpiperidin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine
CID 2132383
4-chloro-6-methyl-5-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidin-2-amine
CID 95507005
2-chloro-5-(4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 93214424
ethyl 2-chloro-4-(1,4-diazepan-1-yl)thieno[2,3-d]pyrimidine-5-carboxylate
CID 82065887
6-ethyl-5-(4-methylphenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine
CID 28848023
5-methyl-4-phenyl-2-piperazin-1-ylthieno[2,3-d]pyrimidine
CID 3062911
1-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]-1,4-diazepane
CID 42774947
2-benzyl-5,6-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
CID 4083738
2-chloro-5-fluoro-4-piperazin-1-ylpyrimidine
CID 53393355

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-5-phenyl-4-piperazin-1-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-6-methyl-5-phenyl-4-piperazin-1-ylthieno[2,3-d]pyrimidine (CID 82065647) is 2-chloro-6-methyl-5-phenyl-4-piperazin-1-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-6-methyl-5-phenyl-4-piperazin-1-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-6-methyl-5-phenyl-4-piperazin-1-ylthieno[2,3-d]pyrimidine is Cc1sc2nc(Cl)nc(N3CCNCC3)c2c1-c1ccccc1.
What is the InChIKey of 2-chloro-6-methyl-5-phenyl-4-piperazin-1-ylthieno[2,3-d]pyrimidine?
The InChIKey is HJDWPRHLTCBQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4S/c1-11-13(12-5-3-2-4-6-12)14-15(22-9-7-19-8-10-22)20-17(18)21-16(14)23-11/h2-6,19H,7-10H2,1H3.
What are the key properties of 2-chloro-6-methyl-5-phenyl-4-piperazin-1-ylthieno[2,3-d]pyrimidine?
2-chloro-6-methyl-5-phenyl-4-piperazin-1-ylthieno[2,3-d]pyrimidine has a molecular weight of 344.87 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-5-phenyl-4-piperazin-1-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 82065647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).