4-[6-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine

C19H22N6OS — CID 155976528

IUPAC4-[6-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
SMILESc1nc(N2CCOCC2)cc(N2CCN(c3nccc4sccc34)CC2)n1
InChIInChI=1S/C19H22N6OS/c1-3-20-19(15-2-12-27-16(1)15)25-6-4-23(5-7-25)17-13-18(22-14-21-17)24-8-10-26-11-9-24/h1-3,12-14H,4-11H2
InChIKeyPFLRJAVJEFGQEM-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.25
Rot. Bonds3

About 4-[6-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine

4-[6-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine (PubChem CID 155976528) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is 4-[6-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
PubChem CID155976528
Molecular FormulaC19H22N6OS
Molecular Weight382.49 g/mol
Exact Mass382.16
IUPAC Name4-[6-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
SMILESc1nc(N2CCOCC2)cc(N2CCN(c3nccc4sccc34)CC2)n1
InChIInChI=1S/C19H22N6OS/c1-3-20-19(15-2-12-27-16(1)15)25-6-4-23(5-7-25)17-13-18(22-14-21-17)24-8-10-26-11-9-24/h1-3,12-14H,4-11H2
InChIKeyPFLRJAVJEFGQEM-UHFFFAOYSA-N
XLogP2.25
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-c]pyridine
CID 166601898
4-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]thieno[3,2-c]pyridine
CID 155976571
4-thieno[2,3-d]pyrimidin-4-ylmorpholine
CID 2457329
4-[6-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 75386867
4-[4-(bromomethyl)piperidin-1-yl]thieno[3,2-c]pyridine
CID 80669496
4-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]thieno[3,2-c]pyridine
CID 171702458
(2S)-1-(oxan-4-yloxy)-3-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)propan-2-ol
CID 171359905
4-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]thieno[3,2-c]pyridine
CID 155976627
(4-thieno[3,2-c]pyridin-4-ylmorpholin-2-yl)methanamine
CID 61338182
1-thieno[3,2-c]pyridin-4-ylpyrrolidine-3,4-diol
CID 106673226
1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carbaldehyde
CID 55101087
4-[2-methyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
CID 155981619

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine (CID 155976528) is 4-[6-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine is c1nc(N2CCOCC2)cc(N2CCN(c3nccc4sccc34)CC2)n1.
What is the InChIKey of 4-[6-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine?
The InChIKey is PFLRJAVJEFGQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS/c1-3-20-19(15-2-12-27-16(1)15)25-6-4-23(5-7-25)17-13-18(22-14-21-17)24-8-10-26-11-9-24/h1-3,12-14H,4-11H2.
What are the key properties of 4-[6-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine?
4-[6-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine has a molecular weight of 382.49 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 155976528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).