4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine

C17H16ClFN4S — CID 55470487

IUPAC4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
SMILESFc1cccc(Cl)c1CN1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C17H16ClFN4S/c18-13-2-1-3-14(19)12(13)10-22-5-7-23(8-6-22)17-16-15(4-9-24-16)20-11-21-17/h1-4,9,11H,5-8,10H2
InChIKeyIIINYYRLTNEKNW-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.81
Rot. Bonds3

About 4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine

4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine (PubChem CID 55470487) has the molecular formula C17H16ClFN4S and a molecular weight of 362.86 g/mol. Its IUPAC name is 4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
PubChem CID55470487
Molecular FormulaC17H16ClFN4S
Molecular Weight362.86 g/mol
Exact Mass362.08
IUPAC Name4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
SMILESFc1cccc(Cl)c1CN1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C17H16ClFN4S/c18-13-2-1-3-14(19)12(13)10-22-5-7-23(8-6-22)17-16-15(4-9-24-16)20-11-21-17/h1-4,9,11H,5-8,10H2
InChIKeyIIINYYRLTNEKNW-UHFFFAOYSA-N
XLogP3.81
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-5-fluoroquinazoline
CID 55855492
4-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 166601575
4-[4-[(2-chloro-6-imidazol-1-ylphenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 154872697
4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 136580237
4-[4-(2-chloroethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 63392635
4-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 171130407
4-[4-(3-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]thieno[3,2-d]pyrimidine
CID 126773636
6-fluoro-3-[(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methyl]-1,2-benzoxazole
CID 171998313
1,3-dimethyl-6-[(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methyl]pyrimidine-2,4-dione
CID 136527882
4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
CID 166601695
4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 24606979
4-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 71999812

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
The IUPAC name of 4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine (CID 55470487) is 4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine is Fc1cccc(Cl)c1CN1CCN(c2ncnc3ccsc23)CC1.
What is the InChIKey of 4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
The InChIKey is IIINYYRLTNEKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4S/c18-13-2-1-3-14(19)12(13)10-22-5-7-23(8-6-22)17-16-15(4-9-24-16)20-11-21-17/h1-4,9,11H,5-8,10H2.
What are the key properties of 4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine has a molecular weight of 362.86 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 55470487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).