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

C21H26N6OS — CID 141381288

IUPAC4-[6-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine
SMILESc1ccc(CN2CCN(Cc3cc4nc(N5CCOCC5)ncc4s3)CC2)nc1
InChIInChI=1S/C21H26N6OS/c1-2-4-22-17(3-1)15-25-5-7-26(8-6-25)16-18-13-19-20(29-18)14-23-21(24-19)27-9-11-28-12-10-27/h1-4,13-14H,5-12,15-16H2
InChIKeyKNGDZCIRXWJSMI-UHFFFAOYSA-N
MW410.55 g/mol
LogP2.24
Rot. Bonds5

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

4-[6-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine (PubChem CID 141381288) has the molecular formula C21H26N6OS and a molecular weight of 410.55 g/mol. Its IUPAC name is 4-[6-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[6-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine
PubChem CID141381288
Molecular FormulaC21H26N6OS
Molecular Weight410.55 g/mol
Exact Mass410.19
IUPAC Name4-[6-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine
SMILESc1ccc(CN2CCN(Cc3cc4nc(N5CCOCC5)ncc4s3)CC2)nc1
InChIInChI=1S/C21H26N6OS/c1-2-4-22-17(3-1)15-25-5-7-26(8-6-25)16-18-13-19-20(29-18)14-23-21(24-19)27-9-11-28-12-10-27/h1-4,13-14H,5-12,15-16H2
InChIKeyKNGDZCIRXWJSMI-UHFFFAOYSA-N
XLogP2.24
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.55
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

5-methyl-2,4-bis[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine
CID 133349095
4-pyrido[3,2-d]pyrimidin-2-ylmorpholine
CID 67130702
4-[4-(5-fluoro-2-methylphenyl)-6-[5-(pyridin-2-ylmethyl)-1,5-diazocan-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 142991078
2-morpholin-4-yl-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidin-4-amine
CID 175649604
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
2-[[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methyl]pyridin-3-ol
CID 140527315
2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56865012
4-[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24947792
4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 47052276
4-[4-methyl-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 171326637
(6-morpholin-4-ylpyridazin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 121028249
4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886571

Frequently Asked Questions

What is the IUPAC name of 4-[6-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[6-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine (CID 141381288) is 4-[6-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[6-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[6-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine is c1ccc(CN2CCN(Cc3cc4nc(N5CCOCC5)ncc4s3)CC2)nc1.
What is the InChIKey of 4-[6-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine?
The InChIKey is KNGDZCIRXWJSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6OS/c1-2-4-22-17(3-1)15-25-5-7-26(8-6-25)16-18-13-19-20(29-18)14-23-21(24-19)27-9-11-28-12-10-27/h1-4,13-14H,5-12,15-16H2.
What are the key properties of 4-[6-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine?
4-[6-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine has a molecular weight of 410.55 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 141381288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).