4-(4-ethylpiperazin-1-yl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidine

C23H28N4O3S — CID 164613382

IUPAC4-(4-ethylpiperazin-1-yl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidine
SMILESCCN1CCN(c2nc(/C=C/c3cc(OC)c(OC)c(OC)c3)nc3ccsc23)CC1
InChIInChI=1S/C23H28N4O3S/c1-5-26-9-11-27(12-10-26)23-22-17(8-13-31-22)24-20(25-23)7-6-16-14-18(28-2)21(30-4)19(15-16)29-3/h6-8,13-15H,5,9-12H2,1-4H3/b7-6+
InChIKeyNJKCJJKZWCBGFN-VOTSOKGWSA-N
MW440.57 g/mol
LogP4.03
Rot. Bonds7

About 4-(4-ethylpiperazin-1-yl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidine

4-(4-ethylpiperazin-1-yl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidine (PubChem CID 164613382) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidine
PubChem CID164613382
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Name4-(4-ethylpiperazin-1-yl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidine
SMILESCCN1CCN(c2nc(/C=C/c3cc(OC)c(OC)c(OC)c3)nc3ccsc23)CC1
InChIInChI=1S/C23H28N4O3S/c1-5-26-9-11-27(12-10-26)23-22-17(8-13-31-22)24-20(25-23)7-6-16-14-18(28-2)21(30-4)19(15-16)29-3/h6-8,13-15H,5,9-12H2,1-4H3/b7-6+
InChIKeyNJKCJJKZWCBGFN-VOTSOKGWSA-N
XLogP4.03
TPSA59.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 164612049
N-[4-(4-ethylpiperazin-1-yl)-2-methoxyphenyl]-4-(3-phenyl-3,4-dihydropyrazol-2-yl)thieno[3,2-d]pyrimidin-2-amine
CID 155320893
1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]-4-methylpiperazine
CID 11341288
4-(4-methylpiperazin-1-yl)-2-[(Z)-2-phenylethenyl]quinazoline
CID 92914556
1-(4-ethylpiperazin-1-yl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]isoquinoline;dihydrochloride
CID 22503021
5-(4-ethylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine
CID 112946282
7-(4-ethylpiperazin-1-yl)-5-[6-(2-methoxyethoxy)-3-pyridinyl]thieno[2,3-c]pyridine;hydrochloride
CID 22503644
1-(4-ethylpiperazin-1-yl)-6-methoxyisoquinoline
CID 23155942
1-(4-ethylpiperazin-1-yl)-3-(2-pyridin-4-ylethenyl)isoquinoline
CID 69182639
1-(4-ethylpiperazin-1-yl)-3-(2,4,5-trimethoxyphenyl)isoquinoline
CID 22503277
1-(4-ethylpiperazin-1-yl)-6-methoxy-3-(4-methoxyphenyl)isoquinoline
CID 22503083
2-(4-ethylpiperazin-1-yl)-4-methoxy-1,3-benzothiazole
CID 16849815

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidine?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidine (CID 164613382) is 4-(4-ethylpiperazin-1-yl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidine is CCN1CCN(c2nc(/C=C/c3cc(OC)c(OC)c(OC)c3)nc3ccsc23)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidine?
The InChIKey is NJKCJJKZWCBGFN-VOTSOKGWSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-5-26-9-11-27(12-10-26)23-22-17(8-13-31-22)24-20(25-23)7-6-16-14-18(28-2)21(30-4)19(15-16)29-3/h6-8,13-15H,5,9-12H2,1-4H3/b7-6+.
What are the key properties of 4-(4-ethylpiperazin-1-yl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidine?
4-(4-ethylpiperazin-1-yl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidine has a molecular weight of 440.57 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 164613382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).