4-(2-benzylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidine

C19H22N4S — CID 86214053

IUPAC4-(2-benzylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCNCC3Cc3ccccc3)ncnc2s1
InChIInChI=1S/C19H22N4S/c1-2-16-11-17-18(21-13-22-19(17)24-16)23-9-8-20-12-15(23)10-14-6-4-3-5-7-14/h3-7,11,13,15,20H,2,8-10,12H2,1H3
InChIKeyBWVLDAWOMGFITG-UHFFFAOYSA-N
MW338.48 g/mol
LogP3.27
Rot. Bonds4

About 4-(2-benzylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidine

4-(2-benzylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidine (PubChem CID 86214053) has the molecular formula C19H22N4S and a molecular weight of 338.48 g/mol. Its IUPAC name is 4-(2-benzylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-benzylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidine
PubChem CID86214053
Molecular FormulaC19H22N4S
Molecular Weight338.48 g/mol
Exact Mass338.16
IUPAC Name4-(2-benzylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCNCC3Cc3ccccc3)ncnc2s1
InChIInChI=1S/C19H22N4S/c1-2-16-11-17-18(21-13-22-19(17)24-16)23-9-8-20-12-15(23)10-14-6-4-3-5-7-14/h3-7,11,13,15,20H,2,8-10,12H2,1H3
InChIKeyBWVLDAWOMGFITG-UHFFFAOYSA-N
XLogP3.27
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-4-(3-piperazin-1-ylazetidin-1-yl)thieno[2,3-d]pyrimidine
CID 66197366
4-[2-(2-chloroethyl)piperidin-1-yl]-6-ethylthieno[2,3-d]pyrimidine
CID 63392557
4-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 160621827
6-ethyl-4-[4-(2-methylphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 962678
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 46362806
1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 21062631
4-(azepan-1-yl)-6-ethylthieno[2,3-d]pyrimidine;hydrochloride
CID 2837431
4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 63388915
5-(2-benzylpiperazin-1-yl)-1,2-oxazole
CID 59674908
1-(4-benzylpiperidin-1-yl)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 2417436
6-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 63266258
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487158

Frequently Asked Questions

What is the IUPAC name of 4-(2-benzylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(2-benzylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidine (CID 86214053) is 4-(2-benzylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2-benzylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(2-benzylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidine is CCc1cc2c(N3CCNCC3Cc3ccccc3)ncnc2s1.
What is the InChIKey of 4-(2-benzylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidine?
The InChIKey is BWVLDAWOMGFITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S/c1-2-16-11-17-18(21-13-22-19(17)24-16)23-9-8-20-12-15(23)10-14-6-4-3-5-7-14/h3-7,11,13,15,20H,2,8-10,12H2,1H3.
What are the key properties of 4-(2-benzylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidine?
4-(2-benzylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidine has a molecular weight of 338.48 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 86214053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).