3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiomorpholine

C13H21N5S — CID 82916473

IUPAC3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiomorpholine
SMILESc1cnc(N2CCN(CC3CSCCN3)CC2)nc1
InChIInChI=1S/C13H21N5S/c1-2-15-13(16-3-1)18-7-5-17(6-8-18)10-12-11-19-9-4-14-12/h1-3,12,14H,4-11H2
InChIKeyCYZAHMDNTGKIKP-UHFFFAOYSA-N
MW279.41 g/mol
LogP0.30
Rot. Bonds3

About 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiomorpholine

3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiomorpholine (PubChem CID 82916473) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiomorpholine.

Molecular Properties

Compound Name3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiomorpholine
PubChem CID82916473
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC Name3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiomorpholine
SMILESc1cnc(N2CCN(CC3CSCCN3)CC2)nc1
InChIInChI=1S/C13H21N5S/c1-2-15-13(16-3-1)18-7-5-17(6-8-18)10-12-11-19-9-4-14-12/h1-3,12,14H,4-11H2
InChIKeyCYZAHMDNTGKIKP-UHFFFAOYSA-N
XLogP0.30
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]azepane
CID 64569763
3-[(4-cyclopentylpiperazin-1-yl)methyl]thiomorpholine
CID 82918140
2-[4-(pyrrolidin-3-ylmethyl)piperazin-1-yl]pyrimidine
CID 62370521
2-[4-[(2-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidine
CID 106740839
2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]pyrimidine;ethane
CID 171070316
2-[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]pyrimidine
CID 11587119
2-[4-[(1-methylazetidin-3-yl)methyl]piperazin-1-yl]pyrimidine
CID 171069848
N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2-thiomorpholin-3-ylacetamide
CID 119941781
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]thiomorpholine
CID 66420536
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-thiomorpholin-3-ylethanone
CID 66421640
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrimidine
CID 102273193
butane;2-piperazin-1-ylpyrimidine
CID 144912345

Frequently Asked Questions

What is the IUPAC name of 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiomorpholine?
The IUPAC name of 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiomorpholine (CID 82916473) is 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiomorpholine.
What is the SMILES notation for 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiomorpholine?
The canonical SMILES for 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiomorpholine is c1cnc(N2CCN(CC3CSCCN3)CC2)nc1.
What is the InChIKey of 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiomorpholine?
The InChIKey is CYZAHMDNTGKIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-2-15-13(16-3-1)18-7-5-17(6-8-18)10-12-11-19-9-4-14-12/h1-3,12,14H,4-11H2.
What are the key properties of 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiomorpholine?
3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiomorpholine has a molecular weight of 279.41 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiomorpholine is sourced from PubChem (CID 82916473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).