4-[4-methyl-6-[4-[2-(1-methyltriazol-4-yl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine

C18H28N8O — CID 171333986

IUPAC4-[4-methyl-6-[4-[2-(1-methyltriazol-4-yl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
SMILESCc1cc(N2CCN(CCc3cn(C)nn3)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H28N8O/c1-15-13-17(20-18(19-15)26-9-11-27-12-10-26)25-7-5-24(6-8-25)4-3-16-14-23(2)22-21-16/h13-14H,3-12H2,1-2H3
InChIKeyHWSMVEVFTOSKPY-UHFFFAOYSA-N
MW372.48 g/mol
LogP0.11
Rot. Bonds5

About 4-[4-methyl-6-[4-[2-(1-methyltriazol-4-yl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine

4-[4-methyl-6-[4-[2-(1-methyltriazol-4-yl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine (PubChem CID 171333986) has the molecular formula C18H28N8O and a molecular weight of 372.48 g/mol. Its IUPAC name is 4-[4-methyl-6-[4-[2-(1-methyltriazol-4-yl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-methyl-6-[4-[2-(1-methyltriazol-4-yl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
PubChem CID171333986
Molecular FormulaC18H28N8O
Molecular Weight372.48 g/mol
Exact Mass372.24
IUPAC Name4-[4-methyl-6-[4-[2-(1-methyltriazol-4-yl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
SMILESCc1cc(N2CCN(CCc3cn(C)nn3)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H28N8O/c1-15-13-17(20-18(19-15)26-9-11-27-12-10-26)25-7-5-24(6-8-25)4-3-16-14-23(2)22-21-16/h13-14H,3-12H2,1-2H3
InChIKeyHWSMVEVFTOSKPY-UHFFFAOYSA-N
XLogP0.11
TPSA75.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-[4-methyl-6-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 171334151
4-[4-methyl-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 171326637
4-[6-methyl-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 166604816
2-[2-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 163349554
1-[[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]cyclobutan-1-ol
CID 163351063
4-[4-methyl-6-[4-(pyrazin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 171333905
4-[2-(4-ethylsulfonylpiperazin-1-yl)-6-methylpyrimidin-4-yl]morpholine
CID 27656202
4-[2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 154580930
N,N-dimethyl-4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-sulfonamide
CID 50947311
4-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112912286
4-[6-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 163345543
4-[4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 50947472

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-6-[4-[2-(1-methyltriazol-4-yl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-methyl-6-[4-[2-(1-methyltriazol-4-yl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine (CID 171333986) is 4-[4-methyl-6-[4-[2-(1-methyltriazol-4-yl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-methyl-6-[4-[2-(1-methyltriazol-4-yl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-methyl-6-[4-[2-(1-methyltriazol-4-yl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine is Cc1cc(N2CCN(CCc3cn(C)nn3)CC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-methyl-6-[4-[2-(1-methyltriazol-4-yl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine?
The InChIKey is HWSMVEVFTOSKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N8O/c1-15-13-17(20-18(19-15)26-9-11-27-12-10-26)25-7-5-24(6-8-25)4-3-16-14-23(2)22-21-16/h13-14H,3-12H2,1-2H3.
What are the key properties of 4-[4-methyl-6-[4-[2-(1-methyltriazol-4-yl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine?
4-[4-methyl-6-[4-[2-(1-methyltriazol-4-yl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine has a molecular weight of 372.48 g/mol, XLogP of 0.11, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-6-[4-[2-(1-methyltriazol-4-yl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 171333986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).