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

C20H19ClN6S — CID 154872697

IUPAC4-[4-[(2-chloro-6-imidazol-1-ylphenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
SMILESClc1cccc(-n2ccnc2)c1CN1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C20H19ClN6S/c21-16-2-1-3-18(27-6-5-22-14-27)15(16)12-25-7-9-26(10-8-25)20-19-17(4-11-28-19)23-13-24-20/h1-6,11,13-14H,7-10,12H2
InChIKeyGPBBIKQJPYCNEJ-UHFFFAOYSA-N
MW410.93 g/mol
LogP3.85
Rot. Bonds4

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

4-[4-[(2-chloro-6-imidazol-1-ylphenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine (PubChem CID 154872697) has the molecular formula C20H19ClN6S and a molecular weight of 410.93 g/mol. Its IUPAC name is 4-[4-[(2-chloro-6-imidazol-1-ylphenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[(2-chloro-6-imidazol-1-ylphenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
PubChem CID154872697
Molecular FormulaC20H19ClN6S
Molecular Weight410.93 g/mol
Exact Mass410.11
IUPAC Name4-[4-[(2-chloro-6-imidazol-1-ylphenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
SMILESClc1cccc(-n2ccnc2)c1CN1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C20H19ClN6S/c21-16-2-1-3-18(27-6-5-22-14-27)15(16)12-25-7-9-26(10-8-25)20-19-17(4-11-28-19)23-13-24-20/h1-6,11,13-14H,7-10,12H2
InChIKeyGPBBIKQJPYCNEJ-UHFFFAOYSA-N
XLogP3.85
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.93
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 55470487
4-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 166601575
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-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 71999812
4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-5-fluoroquinazoline
CID 55855492
1,3-dimethyl-6-[(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methyl]pyrimidine-2,4-dione
CID 136527882
N-[(2-chloro-6-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine
CID 63071720
4-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 163357358
4-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 138008494
5-methyl-3-[(4-thieno[3,2-d]pyrimidin-4-yl-1,4-diazepan-1-yl)methyl]-1,2-oxazole
CID 138042383
4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 24606979

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-chloro-6-imidazol-1-ylphenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
The IUPAC name of 4-[4-[(2-chloro-6-imidazol-1-ylphenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine (CID 154872697) is 4-[4-[(2-chloro-6-imidazol-1-ylphenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-[(2-chloro-6-imidazol-1-ylphenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-[(2-chloro-6-imidazol-1-ylphenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine is Clc1cccc(-n2ccnc2)c1CN1CCN(c2ncnc3ccsc23)CC1.
What is the InChIKey of 4-[4-[(2-chloro-6-imidazol-1-ylphenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
The InChIKey is GPBBIKQJPYCNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6S/c21-16-2-1-3-18(27-6-5-22-14-27)15(16)12-25-7-9-26(10-8-25)20-19-17(4-11-28-19)23-13-24-20/h1-6,11,13-14H,7-10,12H2.
What are the key properties of 4-[4-[(2-chloro-6-imidazol-1-ylphenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
4-[4-[(2-chloro-6-imidazol-1-ylphenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine has a molecular weight of 410.93 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-chloro-6-imidazol-1-ylphenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 154872697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).