6-ethyl-2-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thieno[2,3-d]pyrimidine

C22H26N4S — CID 16627332

IUPAC6-ethyl-2-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCN(C/C=C/c4ccccc4)CC3)nc(C)nc2s1
InChIInChI=1S/C22H26N4S/c1-3-19-16-20-21(23-17(2)24-22(20)27-19)26-14-12-25(13-15-26)11-7-10-18-8-5-4-6-9-18/h4-10,16H,3,11-15H2,1-2H3/b10-7+
InChIKeyHYEIPSZWHGUAGA-JXMROGBWSA-N
MW378.55 g/mol
LogP4.40
Rot. Bonds5

About 6-ethyl-2-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thieno[2,3-d]pyrimidine

6-ethyl-2-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 16627332) has the molecular formula C22H26N4S and a molecular weight of 378.55 g/mol. Its IUPAC name is 6-ethyl-2-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-ethyl-2-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID16627332
Molecular FormulaC22H26N4S
Molecular Weight378.55 g/mol
Exact Mass378.19
IUPAC Name6-ethyl-2-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCN(C/C=C/c4ccccc4)CC3)nc(C)nc2s1
InChIInChI=1S/C22H26N4S/c1-3-19-16-20-21(23-17(2)24-22(20)27-19)26-14-12-25(13-15-26)11-7-10-18-8-5-4-6-9-18/h4-10,16H,3,11-15H2,1-2H3/b10-7+
InChIKeyHYEIPSZWHGUAGA-JXMROGBWSA-N
XLogP4.40
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.55
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-ethyl-2-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thieno[2,3-d]pyrimidine with MolForge

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Related Compounds

6-ethyl-2-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 6458221
4-(4-benzylpiperazin-1-yl)-2,6-diethylthieno[2,3-d]pyrimidine
CID 50947714
6-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133407339
6-ethyl-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 16627269
2-benzyl-6-ethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 91964873
2-benzyl-6-ethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 91964847
1-[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 39073278
1-(3,5-dichloro-2-pyridinyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 6211958
2-ethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine;hydrochloride
CID 52994802
4-(4-benzylpiperazin-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine
CID 985301
2,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 4060720
6-ethoxy-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,3-benzothiazole
CID 90601905

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 6-ethyl-2-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thieno[2,3-d]pyrimidine (CID 16627332) is 6-ethyl-2-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-ethyl-2-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-ethyl-2-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thieno[2,3-d]pyrimidine is CCc1cc2c(N3CCN(C/C=C/c4ccccc4)CC3)nc(C)nc2s1.
What is the InChIKey of 6-ethyl-2-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is HYEIPSZWHGUAGA-JXMROGBWSA-N. The full InChI is InChI=1S/C22H26N4S/c1-3-19-16-20-21(23-17(2)24-22(20)27-19)26-14-12-25(13-15-26)11-7-10-18-8-5-4-6-9-18/h4-10,16H,3,11-15H2,1-2H3/b10-7+.
What are the key properties of 6-ethyl-2-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
6-ethyl-2-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 378.55 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 16627332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).