4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine

C17H18N4OS — CID 4811206

IUPAC4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCOc1ccccc1N1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C17H18N4OS/c1-22-15-5-3-2-4-14(15)20-7-9-21(10-8-20)16-13-6-11-23-17(13)19-12-18-16/h2-6,11-12H,7-10H2,1H3
InChIKeyLDXIOCXOMTTZRY-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.03
Rot. Bonds3

About 4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine

4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 4811206) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID4811206
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCOc1ccccc1N1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C17H18N4OS/c1-22-15-5-3-2-4-14(15)20-7-9-21(10-8-20)16-13-6-11-23-17(13)19-12-18-16/h2-6,11-12H,7-10H2,1H3
InChIKeyLDXIOCXOMTTZRY-UHFFFAOYSA-N
XLogP3.03
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 50909782
4-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 51491376
4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)thieno[2,3-d]pyrimidine
CID 157019262
4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine
CID 110874996
N-[(2-methoxyphenyl)methyl]-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide
CID 78847119
(4-bromo-3,5-dimethoxyphenyl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 112813421
4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 26448675
4-thieno[2,3-d]pyrimidin-4-ylmorpholine
CID 2457329
bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 174973437
4-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 133390610
1-cyclopentyl-4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]pyrazolo[5,4-d]pyrimidine
CID 123979175
2-cyclopropyl-2-methoxy-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 136538650

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine (CID 4811206) is 4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine is COc1ccccc1N1CCN(c2ncnc3sccc23)CC1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is LDXIOCXOMTTZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-22-15-5-3-2-4-14(15)20-7-9-21(10-8-20)16-13-6-11-23-17(13)19-12-18-16/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 326.43 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 4811206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).