4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine

C17H17FN4O2S2 — CID 133407413

IUPAC4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCN(S(=O)(=O)c4ccccc4F)CC3)ncnc2s1
InChIInChI=1S/C17H17FN4O2S2/c1-12-10-13-16(19-11-20-17(13)25-12)21-6-8-22(9-7-21)26(23,24)15-5-3-2-4-14(15)18/h2-5,10-11H,6-9H2,1H3
InChIKeyPYMPIQGMPLTUQS-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.65
Rot. Bonds3

About 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine

4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine (PubChem CID 133407413) has the molecular formula C17H17FN4O2S2 and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
PubChem CID133407413
Molecular FormulaC17H17FN4O2S2
Molecular Weight392.48 g/mol
Exact Mass392.08
IUPAC Name4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCN(S(=O)(=O)c4ccccc4F)CC3)ncnc2s1
InChIInChI=1S/C17H17FN4O2S2/c1-12-10-13-16(19-11-20-17(13)25-12)21-6-8-22(9-7-21)26(23,24)15-5-3-2-4-14(15)18/h2-5,10-11H,6-9H2,1H3
InChIKeyPYMPIQGMPLTUQS-UHFFFAOYSA-N
XLogP2.65
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133407629
4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133407485
3,5-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 133408070
(2-fluorophenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 133408890
6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine
CID 133408657
4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 46797847
6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 2229510
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine
CID 133407195
(2-methylphenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 39072836
4-[4-(3-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]thieno[3,2-d]pyrimidine
CID 126773636
2,2-dimethyl-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 39072814
4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine
CID 9108134

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine (CID 133407413) is 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine is Cc1cc2c(N3CCN(S(=O)(=O)c4ccccc4F)CC3)ncnc2s1.
What is the InChIKey of 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine?
The InChIKey is PYMPIQGMPLTUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2S2/c1-12-10-13-16(19-11-20-17(13)25-12)21-6-8-22(9-7-21)26(23,24)15-5-3-2-4-14(15)18/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine?
4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine has a molecular weight of 392.48 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 133407413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).