8-[4-[(5-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]oxyquinoxalin-6-amine

C21H26N6O2 — CID 156673135

IUPAC8-[4-[(5-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]oxyquinoxalin-6-amine
SMILESCC(C)Oc1cnc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)nc1
InChIInChI=1S/C21H26N6O2/c1-13(2)28-17-11-25-21(26-12-17)27-15-3-5-16(6-4-15)29-19-10-14(22)9-18-20(19)24-8-7-23-18/h7-13,15-16H,3-6,22H2,1-2H3,(H,25,26,27)
InChIKeyKREWZERMKDOBTP-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.59
Rot. Bonds6

About 8-[4-[(5-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]oxyquinoxalin-6-amine

8-[4-[(5-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]oxyquinoxalin-6-amine (PubChem CID 156673135) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 8-[4-[(5-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]oxyquinoxalin-6-amine.

Molecular Properties

Compound Name8-[4-[(5-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]oxyquinoxalin-6-amine
PubChem CID156673135
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name8-[4-[(5-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]oxyquinoxalin-6-amine
SMILESCC(C)Oc1cnc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)nc1
InChIInChI=1S/C21H26N6O2/c1-13(2)28-17-11-25-21(26-12-17)27-15-3-5-16(6-4-15)29-19-10-14(22)9-18-20(19)24-8-7-23-18/h7-13,15-16H,3-6,22H2,1-2H3,(H,25,26,27)
InChIKeyKREWZERMKDOBTP-UHFFFAOYSA-N
XLogP3.59
TPSA108.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[(5-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]oxyquinoxalin-6-amine?
The IUPAC name of 8-[4-[(5-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]oxyquinoxalin-6-amine (CID 156673135) is 8-[4-[(5-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]oxyquinoxalin-6-amine.
What is the SMILES notation for 8-[4-[(5-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]oxyquinoxalin-6-amine?
The canonical SMILES for 8-[4-[(5-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]oxyquinoxalin-6-amine is CC(C)Oc1cnc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)nc1.
What is the InChIKey of 8-[4-[(5-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]oxyquinoxalin-6-amine?
The InChIKey is KREWZERMKDOBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-13(2)28-17-11-25-21(26-12-17)27-15-3-5-16(6-4-15)29-19-10-14(22)9-18-20(19)24-8-7-23-18/h7-13,15-16H,3-6,22H2,1-2H3,(H,25,26,27).
What are the key properties of 8-[4-[(5-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]oxyquinoxalin-6-amine?
8-[4-[(5-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]oxyquinoxalin-6-amine has a molecular weight of 394.48 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(5-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]oxyquinoxalin-6-amine is sourced from PubChem (CID 156673135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).