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

C16H22N6OS — CID 75386867

IUPAC4-[6-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESc1nc(N2CCOCC2)cc(N2CCN(Cc3nccs3)CC2)n1
InChIInChI=1S/C16H22N6OS/c1-10-24-16(17-1)12-20-2-4-21(5-3-20)14-11-15(19-13-18-14)22-6-8-23-9-7-22/h1,10-11,13H,2-9,12H2
InChIKeyIJBJQSVGWLPPCC-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.09
Rot. Bonds4

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

4-[6-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 75386867) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 4-[6-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
PubChem CID75386867
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC Name4-[6-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESc1nc(N2CCOCC2)cc(N2CCN(Cc3nccs3)CC2)n1
InChIInChI=1S/C16H22N6OS/c1-10-24-16(17-1)12-20-2-4-21(5-3-20)14-11-15(19-13-18-14)22-6-8-23-9-7-22/h1,10-11,13H,2-9,12H2
InChIKeyIJBJQSVGWLPPCC-UHFFFAOYSA-N
XLogP1.09
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[6-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 71874854
4-[6-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
CID 155976528
4-[6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 154580986
4-[6-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 166189579
4-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122282526
4-[6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 171326602
4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbaldehyde
CID 112857021
4-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]morpholine
CID 45236744
2-[[4-[(3R)-oxolan-3-yl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]methyl]-1,3-thiazole
CID 97381293
4-(1,3-thiazol-2-ylmethyl)morpholine-2,6-dione
CID 63789062
16-(6-chloropyrimidin-4-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11291813
4-[6-(1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]morpholine
CID 122282690

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine (CID 75386867) is 4-[6-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine is c1nc(N2CCOCC2)cc(N2CCN(Cc3nccs3)CC2)n1.
What is the InChIKey of 4-[6-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is IJBJQSVGWLPPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-10-24-16(17-1)12-20-2-4-21(5-3-20)14-11-15(19-13-18-14)22-6-8-23-9-7-22/h1,10-11,13H,2-9,12H2.
What are the key properties of 4-[6-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
4-[6-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 346.46 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 75386867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).