6-ethyl-5-(4-methylphenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine

C19H22N4S — CID 28848023

IUPAC6-ethyl-5-(4-methylphenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine
SMILESCCc1sc2ncnc(N3CCNCC3)c2c1-c1ccc(C)cc1
InChIInChI=1S/C19H22N4S/c1-3-15-16(14-6-4-13(2)5-7-14)17-18(21-12-22-19(17)24-15)23-10-8-20-9-11-23/h4-7,12,20H,3,8-11H2,1-2H3
InChIKeyRZYOJUHZPMOBOR-UHFFFAOYSA-N
MW338.48 g/mol
LogP3.64
Rot. Bonds3

About 6-ethyl-5-(4-methylphenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine

6-ethyl-5-(4-methylphenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine (PubChem CID 28848023) has the molecular formula C19H22N4S and a molecular weight of 338.48 g/mol. Its IUPAC name is 6-ethyl-5-(4-methylphenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-ethyl-5-(4-methylphenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine
PubChem CID28848023
Molecular FormulaC19H22N4S
Molecular Weight338.48 g/mol
Exact Mass338.16
IUPAC Name6-ethyl-5-(4-methylphenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine
SMILESCCc1sc2ncnc(N3CCNCC3)c2c1-c1ccc(C)cc1
InChIInChI=1S/C19H22N4S/c1-3-15-16(14-6-4-13(2)5-7-14)17-18(21-12-22-19(17)24-15)23-10-8-20-9-11-23/h4-7,12,20H,3,8-11H2,1-2H3
InChIKeyRZYOJUHZPMOBOR-UHFFFAOYSA-N
XLogP3.64
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-ethyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidine
CID 28864492
4-(1,4-diazepan-1-yl)-5-(4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidine
CID 28848315
5-(4-bromophenyl)-6-ethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 84557420
4-(1,4-diazepan-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 18526382
5-(4-aminophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 69061425
1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(4-morpholin-4-ylphenyl)urea
CID 69058929
5-(4-chloro-3-methylphenyl)-2-(1,4-diazepan-1-yl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 110311818
4-(4-benzylpiperidin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine
CID 2132383
5-(4-bromophenyl)-6-ethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 21011976
(5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-piperazin-1-ylmethanone
CID 39162441
1-(3-ethyl-5-methyl-2-pyridinyl)piperazine
CID 58484627
5-(4-bromophenyl)-6-ethyl-N-(3-methyl-2-pyridinyl)thieno[2,3-d]pyrimidin-4-amine
CID 84550310

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-(4-methylphenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 6-ethyl-5-(4-methylphenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine (CID 28848023) is 6-ethyl-5-(4-methylphenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-ethyl-5-(4-methylphenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 6-ethyl-5-(4-methylphenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine is CCc1sc2ncnc(N3CCNCC3)c2c1-c1ccc(C)cc1.
What is the InChIKey of 6-ethyl-5-(4-methylphenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine?
The InChIKey is RZYOJUHZPMOBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S/c1-3-15-16(14-6-4-13(2)5-7-14)17-18(21-12-22-19(17)24-15)23-10-8-20-9-11-23/h4-7,12,20H,3,8-11H2,1-2H3.
What are the key properties of 6-ethyl-5-(4-methylphenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine?
6-ethyl-5-(4-methylphenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine has a molecular weight of 338.48 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-(4-methylphenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 28848023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).