4-(2-chloro-7-methyl-6-piperazin-1-ylthieno[3,2-d]pyrimidin-4-yl)morpholine

C15H20ClN5OS — CID 87616465

IUPAC4-(2-chloro-7-methyl-6-piperazin-1-ylthieno[3,2-d]pyrimidin-4-yl)morpholine
SMILESCc1c(N2CCNCC2)sc2c(N3CCOCC3)nc(Cl)nc12
InChIInChI=1S/C15H20ClN5OS/c1-10-11-12(23-14(10)21-4-2-17-3-5-21)13(19-15(16)18-11)20-6-8-22-9-7-20/h17H,2-9H2,1H3
InChIKeyVZKAWHXVUYICSH-UHFFFAOYSA-N
MW353.88 g/mol
LogP1.90
Rot. Bonds2

About 4-(2-chloro-7-methyl-6-piperazin-1-ylthieno[3,2-d]pyrimidin-4-yl)morpholine

4-(2-chloro-7-methyl-6-piperazin-1-ylthieno[3,2-d]pyrimidin-4-yl)morpholine (PubChem CID 87616465) has the molecular formula C15H20ClN5OS and a molecular weight of 353.88 g/mol. Its IUPAC name is 4-(2-chloro-7-methyl-6-piperazin-1-ylthieno[3,2-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2-chloro-7-methyl-6-piperazin-1-ylthieno[3,2-d]pyrimidin-4-yl)morpholine
PubChem CID87616465
Molecular FormulaC15H20ClN5OS
Molecular Weight353.88 g/mol
Exact Mass353.11
IUPAC Name4-(2-chloro-7-methyl-6-piperazin-1-ylthieno[3,2-d]pyrimidin-4-yl)morpholine
SMILESCc1c(N2CCNCC2)sc2c(N3CCOCC3)nc(Cl)nc12
InChIInChI=1S/C15H20ClN5OS/c1-10-11-12(23-14(10)21-4-2-17-3-5-21)13(19-15(16)18-11)20-6-8-22-9-7-20/h17H,2-9H2,1H3
InChIKeyVZKAWHXVUYICSH-UHFFFAOYSA-N
XLogP1.90
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-7-methyl-6-piperazin-1-ylthieno[3,2-d]pyrimidin-4-yl)morpholine?
The IUPAC name of 4-(2-chloro-7-methyl-6-piperazin-1-ylthieno[3,2-d]pyrimidin-4-yl)morpholine (CID 87616465) is 4-(2-chloro-7-methyl-6-piperazin-1-ylthieno[3,2-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(2-chloro-7-methyl-6-piperazin-1-ylthieno[3,2-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(2-chloro-7-methyl-6-piperazin-1-ylthieno[3,2-d]pyrimidin-4-yl)morpholine is Cc1c(N2CCNCC2)sc2c(N3CCOCC3)nc(Cl)nc12.
What is the InChIKey of 4-(2-chloro-7-methyl-6-piperazin-1-ylthieno[3,2-d]pyrimidin-4-yl)morpholine?
The InChIKey is VZKAWHXVUYICSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5OS/c1-10-11-12(23-14(10)21-4-2-17-3-5-21)13(19-15(16)18-11)20-6-8-22-9-7-20/h17H,2-9H2,1H3.
What are the key properties of 4-(2-chloro-7-methyl-6-piperazin-1-ylthieno[3,2-d]pyrimidin-4-yl)morpholine?
4-(2-chloro-7-methyl-6-piperazin-1-ylthieno[3,2-d]pyrimidin-4-yl)morpholine has a molecular weight of 353.88 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-7-methyl-6-piperazin-1-ylthieno[3,2-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 87616465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).