4-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonitrile;4-(4-ethylpiperazin-1-yl)-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carbonitrile

C41H44N10OS2 — CID 161179236

IUPAC4-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonitrile;4-(4-ethylpiperazin-1-yl)-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carbonitrile
SMILESCCN1CCN(c2nc(-c3ccc(OC)cc3)nc3sc(C#N)c(C)c23)CC1.CCN1CCN(c2nc(-c3ccccc3)nc3sc(C#N)c(C)c23)CC1
InChIInChI=1S/C21H23N5OS.C20H21N5S/c1-4-25-9-11-26(12-10-25)20-18-14(2)17(13-22)28-21(18)24-19(23-20)15-5-7-16(27-3)8-6-15;1-3-24-9-11-25(12-10-24)19-17-14(2)16(13-21)26-20(17)23-18(22-19)15-7-5-4-6-8-15/h5-8H,4,9-12H2,1-3H3;4-8H,3,9-12H2,1-2H3
InChIKeyUSFLFRNPVPAALA-UHFFFAOYSA-N
MW757.01 g/mol
LogP7.37
Rot. Bonds7

About 4-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonitrile;4-(4-ethylpiperazin-1-yl)-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carbonitrile

4-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonitrile;4-(4-ethylpiperazin-1-yl)-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 161179236) has the molecular formula C41H44N10OS2 and a molecular weight of 757.01 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonitrile;4-(4-ethylpiperazin-1-yl)-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonitrile;4-(4-ethylpiperazin-1-yl)-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carbonitrile
PubChem CID161179236
Molecular FormulaC41H44N10OS2
Molecular Weight757.01 g/mol
Exact Mass756.31
IUPAC Name4-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonitrile;4-(4-ethylpiperazin-1-yl)-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carbonitrile
SMILESCCN1CCN(c2nc(-c3ccc(OC)cc3)nc3sc(C#N)c(C)c23)CC1.CCN1CCN(c2nc(-c3ccccc3)nc3sc(C#N)c(C)c23)CC1
InChIInChI=1S/C21H23N5OS.C20H21N5S/c1-4-25-9-11-26(12-10-25)20-18-14(2)17(13-22)28-21(18)24-19(23-20)15-5-7-16(27-3)8-6-15;1-3-24-9-11-25(12-10-24)19-17-14(2)16(13-21)26-20(17)23-18(22-19)15-7-5-4-6-8-15/h5-8H,4,9-12H2,1-3H3;4-8H,3,9-12H2,1-2H3
InChIKeyUSFLFRNPVPAALA-UHFFFAOYSA-N
XLogP7.37
TPSA121.33 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500757.01
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 4-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonitrile;4-(4-ethylpiperazin-1-yl)-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carbonitrile with MolForge

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Related Compounds

1-(4-ethylpiperazin-1-yl)-7-methoxy-3-phenylisoquinoline;dihydrochloride
CID 22503110
4-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)quinazoline;hydrochloride
CID 2790962
4-(4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-5-carbonitrile
CID 3299494
1-(4-ethylpiperazin-1-yl)-4-methoxy-3-(4-methoxyphenyl)isoquinoline
CID 22503036
4-(4-benzylpiperazin-1-yl)-6-methyl-2-phenylthieno[2,3-d]pyrimidine
CID 91965217
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carbonitrile
CID 68904389
1-(4-ethylpiperazin-1-yl)-6-methoxy-3-(4-methoxyphenyl)isoquinoline
CID 22503083
6-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-2-phenylpyrimidin-4-amine
CID 112881049
1-(4-ethyl-1,4-diazepan-1-yl)-3-(4-methoxyphenyl)isoquinoline;dihydrochloride
CID 22502737
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
4-(4-ethylpiperazin-1-yl)-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine
CID 3521644
4-(4-benzylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine
CID 1189434

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonitrile;4-(4-ethylpiperazin-1-yl)-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonitrile;4-(4-ethylpiperazin-1-yl)-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carbonitrile (CID 161179236) is 4-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonitrile;4-(4-ethylpiperazin-1-yl)-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonitrile;4-(4-ethylpiperazin-1-yl)-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonitrile;4-(4-ethylpiperazin-1-yl)-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carbonitrile is CCN1CCN(c2nc(-c3ccc(OC)cc3)nc3sc(C#N)c(C)c23)CC1.CCN1CCN(c2nc(-c3ccccc3)nc3sc(C#N)c(C)c23)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonitrile;4-(4-ethylpiperazin-1-yl)-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is USFLFRNPVPAALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5OS.C20H21N5S/c1-4-25-9-11-26(12-10-25)20-18-14(2)17(13-22)28-21(18)24-19(23-20)15-5-7-16(27-3)8-6-15;1-3-24-9-11-25(12-10-24)19-17-14(2)16(13-21)26-20(17)23-18(22-19)15-7-5-4-6-8-15/h5-8H,4,9-12H2,1-3H3;4-8H,3,9-12H2,1-2H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonitrile;4-(4-ethylpiperazin-1-yl)-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carbonitrile?
4-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonitrile;4-(4-ethylpiperazin-1-yl)-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 757.01 g/mol, XLogP of 7.37, 7 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonitrile;4-(4-ethylpiperazin-1-yl)-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 161179236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).