4-[2-chloro-6-[[3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine

C21H27ClN6OS2 — CID 76543090

IUPAC4-[2-chloro-6-[[3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCC1CN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC(C)N1Cc1nccs1
InChIInChI=1S/C21H27ClN6OS2/c1-14-10-26(11-15(2)28(14)13-18-23-3-8-30-18)12-16-9-17-19(31-16)20(25-21(22)24-17)27-4-6-29-7-5-27/h3,8-9,14-15H,4-7,10-13H2,1-2H3
InChIKeyYRBBXYLPJJGKQM-UHFFFAOYSA-N
MW479.08 g/mol
LogP3.73
Rot. Bonds5

About 4-[2-chloro-6-[[3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine

4-[2-chloro-6-[[3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 76543090) has the molecular formula C21H27ClN6OS2 and a molecular weight of 479.08 g/mol. Its IUPAC name is 4-[2-chloro-6-[[3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-chloro-6-[[3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID76543090
Molecular FormulaC21H27ClN6OS2
Molecular Weight479.08 g/mol
Exact Mass478.14
IUPAC Name4-[2-chloro-6-[[3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCC1CN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC(C)N1Cc1nccs1
InChIInChI=1S/C21H27ClN6OS2/c1-14-10-26(11-15(2)28(14)13-18-23-3-8-30-18)12-16-9-17-19(31-16)20(25-21(22)24-17)27-4-6-29-7-5-27/h3,8-9,14-15H,4-7,10-13H2,1-2H3
InChIKeyYRBBXYLPJJGKQM-UHFFFAOYSA-N
XLogP3.73
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.08
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[2-chloro-6-[[3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-6-[[3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-chloro-6-[[3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine (CID 76543090) is 4-[2-chloro-6-[[3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-chloro-6-[[3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-chloro-6-[[3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine is CC1CN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC(C)N1Cc1nccs1.
What is the InChIKey of 4-[2-chloro-6-[[3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is YRBBXYLPJJGKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN6OS2/c1-14-10-26(11-15(2)28(14)13-18-23-3-8-30-18)12-16-9-17-19(31-16)20(25-21(22)24-17)27-4-6-29-7-5-27/h3,8-9,14-15H,4-7,10-13H2,1-2H3.
What are the key properties of 4-[2-chloro-6-[[3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-chloro-6-[[3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 479.08 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-6-[[3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 76543090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).