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

C16H23N5OS — CID 59474379

IUPAC4-[2-methyl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCc1nc(N2CCOCC2)c2sc(CN3CCNCC3)cc2n1
InChIInChI=1S/C16H23N5OS/c1-12-18-14-10-13(11-20-4-2-17-3-5-20)23-15(14)16(19-12)21-6-8-22-9-7-21/h10,17H,2-9,11H2,1H3
InChIKeyWFKKRAZSVLIVHE-UHFFFAOYSA-N
MW333.46 g/mol
LogP1.24
Rot. Bonds3

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

4-[2-methyl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 59474379) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 4-[2-methyl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID59474379
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name4-[2-methyl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCc1nc(N2CCOCC2)c2sc(CN3CCNCC3)cc2n1
InChIInChI=1S/C16H23N5OS/c1-12-18-14-10-13(11-20-4-2-17-3-5-20)23-15(14)16(19-12)21-6-8-22-9-7-21/h10,17H,2-9,11H2,1H3
InChIKeyWFKKRAZSVLIVHE-UHFFFAOYSA-N
XLogP1.24
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-methyl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine (CID 59474379) is 4-[2-methyl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-methyl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-methyl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine is Cc1nc(N2CCOCC2)c2sc(CN3CCNCC3)cc2n1.
What is the InChIKey of 4-[2-methyl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is WFKKRAZSVLIVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-12-18-14-10-13(11-20-4-2-17-3-5-20)23-15(14)16(19-12)21-6-8-22-9-7-21/h10,17H,2-9,11H2,1H3.
What are the key properties of 4-[2-methyl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-methyl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 333.46 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 59474379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).