4-[(3-chlorophenyl)methoxy]-2-piperazin-1-ylthieno[3,2-d]pyrimidine

C17H17ClN4OS — CID 46228442

IUPAC4-[(3-chlorophenyl)methoxy]-2-piperazin-1-ylthieno[3,2-d]pyrimidine
SMILESClc1cccc(COc2nc(N3CCNCC3)nc3ccsc23)c1
InChIInChI=1S/C17H17ClN4OS/c18-13-3-1-2-12(10-13)11-23-16-15-14(4-9-24-15)20-17(21-16)22-7-5-19-6-8-22/h1-4,9-10,19H,5-8,11H2
InChIKeyKJSCODKPPVJNBU-UHFFFAOYSA-N
MW360.87 g/mol
LogP3.33
Rot. Bonds4

About 4-[(3-chlorophenyl)methoxy]-2-piperazin-1-ylthieno[3,2-d]pyrimidine

4-[(3-chlorophenyl)methoxy]-2-piperazin-1-ylthieno[3,2-d]pyrimidine (PubChem CID 46228442) has the molecular formula C17H17ClN4OS and a molecular weight of 360.87 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methoxy]-2-piperazin-1-ylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methoxy]-2-piperazin-1-ylthieno[3,2-d]pyrimidine
PubChem CID46228442
Molecular FormulaC17H17ClN4OS
Molecular Weight360.87 g/mol
Exact Mass360.08
IUPAC Name4-[(3-chlorophenyl)methoxy]-2-piperazin-1-ylthieno[3,2-d]pyrimidine
SMILESClc1cccc(COc2nc(N3CCNCC3)nc3ccsc23)c1
InChIInChI=1S/C17H17ClN4OS/c18-13-3-1-2-12(10-13)11-23-16-15-14(4-9-24-15)20-17(21-16)22-7-5-19-6-8-22/h1-4,9-10,19H,5-8,11H2
InChIKeyKJSCODKPPVJNBU-UHFFFAOYSA-N
XLogP3.33
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-Chlorobenzyloxy)-2-(piperazin-1-yl)thieno[2,3-d]pyrimidine
CID 46228423
4-(3-Chlorobenzyloxy)-7-methyl-2-(piperazin-1-yl)thieno[3,2-d]pyrimidine
CID 46228429
4-N-(2-chlorophenyl)-2-N-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 49792108
3-chloro-N-[[4-(6-methoxy-3-pyridyl)thieno[3,2-d]pyrimidin-2-yl]methyl]aniline
CID 118720388
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-4-(2,4,6-trimethylphenoxy)thieno[3,2-d]pyrimidin-2-amine
CID 129907692
N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-4-(2,4,6-trimethylphenoxy)thieno[3,2-d]pyrimidin-2-amine
CID 129907795
3-[[4-[[4-(2,4,6-Trimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino]piperidin-1-yl]methyl]benzonitrile
CID 129907816
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(2,4,6-trimethylphenoxy)thieno[3,2-d]pyrimidin-2-amine
CID 129907828
4-[2-[[1-[(3-Cyanophenyl)methyl]-4-piperidyl]amino]thieno[3,2-d]pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile
CID 129907901
(E)-3-[3,5-dimethyl-4-[2-[[1-(p-tolylmethyl)-4-piperidyl]amino]thieno[3,2-d]pyrimidin-4-yl]oxy-phenyl]prop-2-enenitrile
CID 129908771
(E)-3-[4-[2-[[1-[(4-fluorophenyl)methyl]-4-piperidyl]amino]thieno[3,2-d]pyrimidin-4-yl]oxy-3,5-dimethyl-phenyl]prop-2-enenitrile
CID 129909000
(E)-3-[4-[2-[[1-[(2-fluorophenyl)methyl]-4-piperidyl]amino]thieno[3,2-d]pyrimidin-4-yl]oxy-3,5-dimethyl-phenyl]prop-2-enenitrile
CID 129909001

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methoxy]-2-piperazin-1-ylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-[(3-chlorophenyl)methoxy]-2-piperazin-1-ylthieno[3,2-d]pyrimidine (CID 46228442) is 4-[(3-chlorophenyl)methoxy]-2-piperazin-1-ylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-[(3-chlorophenyl)methoxy]-2-piperazin-1-ylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-[(3-chlorophenyl)methoxy]-2-piperazin-1-ylthieno[3,2-d]pyrimidine is Clc1cccc(COc2nc(N3CCNCC3)nc3ccsc23)c1.
What is the InChIKey of 4-[(3-chlorophenyl)methoxy]-2-piperazin-1-ylthieno[3,2-d]pyrimidine?
The InChIKey is KJSCODKPPVJNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4OS/c18-13-3-1-2-12(10-13)11-23-16-15-14(4-9-24-15)20-17(21-16)22-7-5-19-6-8-22/h1-4,9-10,19H,5-8,11H2.
What are the key properties of 4-[(3-chlorophenyl)methoxy]-2-piperazin-1-ylthieno[3,2-d]pyrimidine?
4-[(3-chlorophenyl)methoxy]-2-piperazin-1-ylthieno[3,2-d]pyrimidine has a molecular weight of 360.87 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methoxy]-2-piperazin-1-ylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 46228442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).