2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine

C18H31N5O — CID 133470340

IUPAC2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
SMILESCc1cnc(C)c(N2CCN(CC3CN(C(C)C)CCO3)CC2)n1
InChIInChI=1S/C18H31N5O/c1-14(2)23-9-10-24-17(13-23)12-21-5-7-22(8-6-21)18-16(4)19-11-15(3)20-18/h11,14,17H,5-10,12-13H2,1-4H3
InChIKeyRXVQUQTVQUEYNH-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.32
Rot. Bonds4

About 2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine

2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine (PubChem CID 133470340) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
PubChem CID133470340
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
SMILESCc1cnc(C)c(N2CCN(CC3CN(C(C)C)CCO3)CC2)n1
InChIInChI=1S/C18H31N5O/c1-14(2)23-9-10-24-17(13-23)12-21-5-7-22(8-6-21)18-16(4)19-11-15(3)20-18/h11,14,17H,5-10,12-13H2,1-4H3
InChIKeyRXVQUQTVQUEYNH-UHFFFAOYSA-N
XLogP1.32
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine?
The IUPAC name of 2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine (CID 133470340) is 2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine?
The canonical SMILES for 2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine is Cc1cnc(C)c(N2CCN(CC3CN(C(C)C)CCO3)CC2)n1.
What is the InChIKey of 2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine?
The InChIKey is RXVQUQTVQUEYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-14(2)23-9-10-24-17(13-23)12-21-5-7-22(8-6-21)18-16(4)19-11-15(3)20-18/h11,14,17H,5-10,12-13H2,1-4H3.
What are the key properties of 2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine?
2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine has a molecular weight of 333.48 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 133470340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).