4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine

C25H26ClN5OS — CID 91965375

IUPAC4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCN(Cc4cc(Cl)ccc4OC)CC3)nc(-c3cccnc3)nc2s1
InChIInChI=1S/C25H26ClN5OS/c1-3-20-14-21-24(28-23(29-25(21)33-20)17-5-4-8-27-15-17)31-11-9-30(10-12-31)16-18-13-19(26)6-7-22(18)32-2/h4-8,13-15H,3,9-12,16H2,1-2H3
InChIKeyMUMOFNQTDWKLKD-UHFFFAOYSA-N
MW480.04 g/mol
LogP5.30
Rot. Bonds6

About 4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine

4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine (PubChem CID 91965375) has the molecular formula C25H26ClN5OS and a molecular weight of 480.04 g/mol. Its IUPAC name is 4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
PubChem CID91965375
Molecular FormulaC25H26ClN5OS
Molecular Weight480.04 g/mol
Exact Mass479.15
IUPAC Name4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCN(Cc4cc(Cl)ccc4OC)CC3)nc(-c3cccnc3)nc2s1
InChIInChI=1S/C25H26ClN5OS/c1-3-20-14-21-24(28-23(29-25(21)33-20)17-5-4-8-27-15-17)31-11-9-30(10-12-31)16-18-13-19(26)6-7-22(18)32-2/h4-8,13-15H,3,9-12,16H2,1-2H3
InChIKeyMUMOFNQTDWKLKD-UHFFFAOYSA-N
XLogP5.30
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.04
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(4-chlorophenyl)piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965383
6-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965387
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965374
6-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965386
4-(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-2,6-dimethylmorpholine
CID 91965364
6-ethyl-4-(3-methylpiperidin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965355
5-chloro-4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 133490584
4-(3,5-dimethylpyrazol-1-yl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965594
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-methyl-2-phenylthieno[2,3-d]pyrimidine
CID 91965219
4-(4-benzylpiperazin-1-yl)-2,6-diethylthieno[2,3-d]pyrimidine
CID 50947714
N-(3,5-dichlorophenyl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 91965281
4-(azetidin-1-yl)-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 18287230

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine (CID 91965375) is 4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine is CCc1cc2c(N3CCN(Cc4cc(Cl)ccc4OC)CC3)nc(-c3cccnc3)nc2s1.
What is the InChIKey of 4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The InChIKey is MUMOFNQTDWKLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5OS/c1-3-20-14-21-24(28-23(29-25(21)33-20)17-5-4-8-27-15-17)31-11-9-30(10-12-31)16-18-13-19(26)6-7-22(18)32-2/h4-8,13-15H,3,9-12,16H2,1-2H3.
What are the key properties of 4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine has a molecular weight of 480.04 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 91965375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).