3,6-difluoro-2-[1-(3-methyl-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-5-yl)ethyl]phenol;4-(4-methylphenyl)morpholine

C26H31F2N5O2 — CID 143994152

IUPAC3,6-difluoro-2-[1-(3-methyl-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-5-yl)ethyl]phenol;4-(4-methylphenyl)morpholine
SMILESCc1ccc(N2CCOCC2)cc1.Cc1cnc2c(n1)N(C(C)c1c(F)ccc(F)c1O)CCN2
InChIInChI=1S/C15H16F2N4O.C11H15NO/c1-8-7-19-14-15(20-8)21(6-5-18-14)9(2)12-10(16)3-4-11(17)13(12)22;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12/h3-4,7,9,22H,5-6H2,1-2H3,(H,18,19);2-5H,6-9H2,1H3
InChIKeyXCQKRPKTNYMMDI-UHFFFAOYSA-N
MW483.56 g/mol
LogP4.59
Rot. Bonds3

About 3,6-difluoro-2-[1-(3-methyl-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-5-yl)ethyl]phenol;4-(4-methylphenyl)morpholine

3,6-difluoro-2-[1-(3-methyl-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-5-yl)ethyl]phenol;4-(4-methylphenyl)morpholine (PubChem CID 143994152) has the molecular formula C26H31F2N5O2 and a molecular weight of 483.56 g/mol. Its IUPAC name is 3,6-difluoro-2-[1-(3-methyl-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-5-yl)ethyl]phenol;4-(4-methylphenyl)morpholine.

Molecular Properties

Compound Name3,6-difluoro-2-[1-(3-methyl-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-5-yl)ethyl]phenol;4-(4-methylphenyl)morpholine
PubChem CID143994152
Molecular FormulaC26H31F2N5O2
Molecular Weight483.56 g/mol
Exact Mass483.24
IUPAC Name3,6-difluoro-2-[1-(3-methyl-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-5-yl)ethyl]phenol;4-(4-methylphenyl)morpholine
SMILESCc1ccc(N2CCOCC2)cc1.Cc1cnc2c(n1)N(C(C)c1c(F)ccc(F)c1O)CCN2
InChIInChI=1S/C15H16F2N4O.C11H15NO/c1-8-7-19-14-15(20-8)21(6-5-18-14)9(2)12-10(16)3-4-11(17)13(12)22;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12/h3-4,7,9,22H,5-6H2,1-2H3,(H,18,19);2-5H,6-9H2,1H3
InChIKeyXCQKRPKTNYMMDI-UHFFFAOYSA-N
XLogP4.59
TPSA73.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.56
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[3-[5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]phenyl]morpholine
CID 70673155
3-methyl-5-propan-2-yl-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine
CID 176683239
3,6-difluoro-2-[[3-(3-morpholin-4-ylphenyl)-6,7,8,9-tetrahydropyrazino[2,3-b][1,4]diazepin-5-yl]methyl]phenol
CID 135229922
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
ethane;(4-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene
CID 157373423
4-[4-[5-(3,4-difluorophenyl)pyrazol-1-yl]phenyl]morpholine
CID 174711203
4-[5-fluoro-4-[4-(4-methylphenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 58320503
4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]morpholine
CID 50769427
1-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol
CID 22973607
4-[4-(5-fluoro-6-methyl-2-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 58507773
13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102356016
4-[5-fluoro-2-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidin-4-yl]morpholine
CID 126433720

Frequently Asked Questions

What is the IUPAC name of 3,6-difluoro-2-[1-(3-methyl-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-5-yl)ethyl]phenol;4-(4-methylphenyl)morpholine?
The IUPAC name of 3,6-difluoro-2-[1-(3-methyl-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-5-yl)ethyl]phenol;4-(4-methylphenyl)morpholine (CID 143994152) is 3,6-difluoro-2-[1-(3-methyl-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-5-yl)ethyl]phenol;4-(4-methylphenyl)morpholine.
What is the SMILES notation for 3,6-difluoro-2-[1-(3-methyl-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-5-yl)ethyl]phenol;4-(4-methylphenyl)morpholine?
The canonical SMILES for 3,6-difluoro-2-[1-(3-methyl-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-5-yl)ethyl]phenol;4-(4-methylphenyl)morpholine is Cc1ccc(N2CCOCC2)cc1.Cc1cnc2c(n1)N(C(C)c1c(F)ccc(F)c1O)CCN2.
What is the InChIKey of 3,6-difluoro-2-[1-(3-methyl-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-5-yl)ethyl]phenol;4-(4-methylphenyl)morpholine?
The InChIKey is XCQKRPKTNYMMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O.C11H15NO/c1-8-7-19-14-15(20-8)21(6-5-18-14)9(2)12-10(16)3-4-11(17)13(12)22;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12/h3-4,7,9,22H,5-6H2,1-2H3,(H,18,19);2-5H,6-9H2,1H3.
What are the key properties of 3,6-difluoro-2-[1-(3-methyl-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-5-yl)ethyl]phenol;4-(4-methylphenyl)morpholine?
3,6-difluoro-2-[1-(3-methyl-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-5-yl)ethyl]phenol;4-(4-methylphenyl)morpholine has a molecular weight of 483.56 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-difluoro-2-[1-(3-methyl-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-5-yl)ethyl]phenol;4-(4-methylphenyl)morpholine is sourced from PubChem (CID 143994152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).