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

C20H24N4S — CID 982631

IUPAC5-(3,4-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)thieno[2,3-d]pyrimidine
SMILESCCN1CCN(c2ncnc3scc(-c4ccc(C)c(C)c4)c23)CC1
InChIInChI=1S/C20H24N4S/c1-4-23-7-9-24(10-8-23)19-18-17(12-25-20(18)22-13-21-19)16-6-5-14(2)15(3)11-16/h5-6,11-13H,4,7-10H2,1-3H3
InChIKeyYAFLHMNFMQBILY-UHFFFAOYSA-N
MW352.51 g/mol
LogP4.12
Rot. Bonds3

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

5-(3,4-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)thieno[2,3-d]pyrimidine (PubChem CID 982631) has the molecular formula C20H24N4S and a molecular weight of 352.51 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)thieno[2,3-d]pyrimidine
PubChem CID982631
Molecular FormulaC20H24N4S
Molecular Weight352.51 g/mol
Exact Mass352.17
IUPAC Name5-(3,4-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)thieno[2,3-d]pyrimidine
SMILESCCN1CCN(c2ncnc3scc(-c4ccc(C)c(C)c4)c23)CC1
InChIInChI=1S/C20H24N4S/c1-4-23-7-9-24(10-8-23)19-18-17(12-25-20(18)22-13-21-19)16-6-5-14(2)15(3)11-16/h5-6,11-13H,4,7-10H2,1-3H3
InChIKeyYAFLHMNFMQBILY-UHFFFAOYSA-N
XLogP4.12
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.51
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Benzyl-1-(thieno(2,3-d)pyrimidin-4-yl)piperidine
CID 2100018
4-(4-(5,5-Dimethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-propylthieno[2,3-d]pyrimidine
CID 54765302
Thienopyrimidine deriv. 60
CID 6540010
6-Methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
CID 3157193
N,N-diethyl-N'-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine
CID 1608673
N-benzylthieno[2,3-d]pyrimidin-4-amine
CID 2139597
[1-(5-Phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol
CID 4540225
4-[(4-Fluorobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
CID 731474
N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
CID 941960
5-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 10923591
4-Chloro-5-(4-methylphenyl)thieno(2,3-d)pyrimidine
CID 708732
12-Benzyl-11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 25190904

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 5-(3,4-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)thieno[2,3-d]pyrimidine (CID 982631) is 5-(3,4-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 5-(3,4-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)thieno[2,3-d]pyrimidine is CCN1CCN(c2ncnc3scc(-c4ccc(C)c(C)c4)c23)CC1.
What is the InChIKey of 5-(3,4-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The InChIKey is YAFLHMNFMQBILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4S/c1-4-23-7-9-24(10-8-23)19-18-17(12-25-20(18)22-13-21-19)16-6-5-14(2)15(3)11-16/h5-6,11-13H,4,7-10H2,1-3H3.
What are the key properties of 5-(3,4-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
5-(3,4-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)thieno[2,3-d]pyrimidine has a molecular weight of 352.51 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 982631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).