4-[2-chloro-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine;methoxymethane

C17H26ClN5O2S — CID 143572066

IUPAC4-[2-chloro-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine;methoxymethane
SMILESCOC.Clc1nc(N2CCOCC2)c2sc(CN3CCNCC3)cc2n1
InChIInChI=1S/C15H20ClN5OS.C2H6O/c16-15-18-12-9-11(10-20-3-1-17-2-4-20)23-13(12)14(19-15)21-5-7-22-8-6-21;1-3-2/h9,17H,1-8,10H2;1-2H3
InChIKeyXSJVXHZXWXPWLS-UHFFFAOYSA-N
MW399.95 g/mol
LogP1.85
Rot. Bonds3

About 4-[2-chloro-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine;methoxymethane

4-[2-chloro-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine;methoxymethane (PubChem CID 143572066) has the molecular formula C17H26ClN5O2S and a molecular weight of 399.95 g/mol. Its IUPAC name is 4-[2-chloro-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine;methoxymethane.

Molecular Properties

Compound Name4-[2-chloro-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine;methoxymethane
PubChem CID143572066
Molecular FormulaC17H26ClN5O2S
Molecular Weight399.95 g/mol
Exact Mass399.15
IUPAC Name4-[2-chloro-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine;methoxymethane
SMILESCOC.Clc1nc(N2CCOCC2)c2sc(CN3CCNCC3)cc2n1
InChIInChI=1S/C15H20ClN5OS.C2H6O/c16-15-18-12-9-11(10-20-3-1-17-2-4-20)23-13(12)14(19-15)21-5-7-22-8-6-21;1-3-2/h9,17H,1-8,10H2;1-2H3
InChIKeyXSJVXHZXWXPWLS-UHFFFAOYSA-N
XLogP1.85
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.95
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine;methoxymethane?
The IUPAC name of 4-[2-chloro-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine;methoxymethane (CID 143572066) is 4-[2-chloro-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine;methoxymethane.
What is the SMILES notation for 4-[2-chloro-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine;methoxymethane?
The canonical SMILES for 4-[2-chloro-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine;methoxymethane is COC.Clc1nc(N2CCOCC2)c2sc(CN3CCNCC3)cc2n1.
What is the InChIKey of 4-[2-chloro-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine;methoxymethane?
The InChIKey is XSJVXHZXWXPWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5OS.C2H6O/c16-15-18-12-9-11(10-20-3-1-17-2-4-20)23-13(12)14(19-15)21-5-7-22-8-6-21;1-3-2/h9,17H,1-8,10H2;1-2H3.
What are the key properties of 4-[2-chloro-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine;methoxymethane?
4-[2-chloro-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine;methoxymethane has a molecular weight of 399.95 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine;methoxymethane is sourced from PubChem (CID 143572066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).