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

C24H25N5OS — CID 91965387

IUPAC6-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCN(c4ccccc4OC)CC3)nc(-c3cccnc3)nc2s1
InChIInChI=1S/C24H25N5OS/c1-3-18-15-19-23(26-22(27-24(19)31-18)17-7-6-10-25-16-17)29-13-11-28(12-14-29)20-8-4-5-9-21(20)30-2/h4-10,15-16H,3,11-14H2,1-2H3
InChIKeyOZUHTGRKXBEFFY-UHFFFAOYSA-N
MW431.57 g/mol
LogP4.65
Rot. Bonds5

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

6-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine (PubChem CID 91965387) has the molecular formula C24H25N5OS and a molecular weight of 431.57 g/mol. Its IUPAC name is 6-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine
PubChem CID91965387
Molecular FormulaC24H25N5OS
Molecular Weight431.57 g/mol
Exact Mass431.18
IUPAC Name6-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCN(c4ccccc4OC)CC3)nc(-c3cccnc3)nc2s1
InChIInChI=1S/C24H25N5OS/c1-3-18-15-19-23(26-22(27-24(19)31-18)17-7-6-10-25-16-17)29-13-11-28(12-14-29)20-8-4-5-9-21(20)30-2/h4-10,15-16H,3,11-14H2,1-2H3
InChIKeyOZUHTGRKXBEFFY-UHFFFAOYSA-N
XLogP4.65
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.57
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965386
4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965375
4-[4-(4-chlorophenyl)piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965383
4-(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-2,6-dimethylmorpholine
CID 91965364
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-(3-methylpiperidin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965355
4-(3,5-dimethylpyrazol-1-yl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965594
4-(azetidin-1-yl)-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 18287230
[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 39073313
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline
CID 22330526
4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 59817867
2-[(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 91965311

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 6-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine (CID 91965387) is 6-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 6-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine is CCc1cc2c(N3CCN(c4ccccc4OC)CC3)nc(-c3cccnc3)nc2s1.
What is the InChIKey of 6-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The InChIKey is OZUHTGRKXBEFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5OS/c1-3-18-15-19-23(26-22(27-24(19)31-18)17-7-6-10-25-16-17)29-13-11-28(12-14-29)20-8-4-5-9-21(20)30-2/h4-10,15-16H,3,11-14H2,1-2H3.
What are the key properties of 6-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
6-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine has a molecular weight of 431.57 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 91965387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).