N-[4-[7-(2,5-dihydrofuran-3-yl)quinoxalin-5-yl]oxycyclohexyl]-2-methylpyrimidin-4-amine

C23H25N5O2 — CID 121335936

IUPACN-[4-[7-(2,5-dihydrofuran-3-yl)quinoxalin-5-yl]oxycyclohexyl]-2-methylpyrimidin-4-amine
SMILESCc1nccc(NC2CCC(Oc3cc(C4=CCOC4)cc4nccnc34)CC2)n1
InChIInChI=1S/C23H25N5O2/c1-15-24-8-6-22(27-15)28-18-2-4-19(5-3-18)30-21-13-17(16-7-11-29-14-16)12-20-23(21)26-10-9-25-20/h6-10,12-13,18-19H,2-5,11,14H2,1H3,(H,24,27,28)
InChIKeyKEQLEBNCADGQFG-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.94
Rot. Bonds5

About N-[4-[7-(2,5-dihydrofuran-3-yl)quinoxalin-5-yl]oxycyclohexyl]-2-methylpyrimidin-4-amine

N-[4-[7-(2,5-dihydrofuran-3-yl)quinoxalin-5-yl]oxycyclohexyl]-2-methylpyrimidin-4-amine (PubChem CID 121335936) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[4-[7-(2,5-dihydrofuran-3-yl)quinoxalin-5-yl]oxycyclohexyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-[7-(2,5-dihydrofuran-3-yl)quinoxalin-5-yl]oxycyclohexyl]-2-methylpyrimidin-4-amine
PubChem CID121335936
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-[4-[7-(2,5-dihydrofuran-3-yl)quinoxalin-5-yl]oxycyclohexyl]-2-methylpyrimidin-4-amine
SMILESCc1nccc(NC2CCC(Oc3cc(C4=CCOC4)cc4nccnc34)CC2)n1
InChIInChI=1S/C23H25N5O2/c1-15-24-8-6-22(27-15)28-18-2-4-19(5-3-18)30-21-13-17(16-7-11-29-14-16)12-20-23(21)26-10-9-25-20/h6-10,12-13,18-19H,2-5,11,14H2,1H3,(H,24,27,28)
InChIKeyKEQLEBNCADGQFG-UHFFFAOYSA-N
XLogP3.94
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[7-(2,5-dihydrofuran-3-yl)quinoxalin-5-yl]oxycyclohexyl]-2-methylpyrimidin-4-amine?
The IUPAC name of N-[4-[7-(2,5-dihydrofuran-3-yl)quinoxalin-5-yl]oxycyclohexyl]-2-methylpyrimidin-4-amine (CID 121335936) is N-[4-[7-(2,5-dihydrofuran-3-yl)quinoxalin-5-yl]oxycyclohexyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[4-[7-(2,5-dihydrofuran-3-yl)quinoxalin-5-yl]oxycyclohexyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[4-[7-(2,5-dihydrofuran-3-yl)quinoxalin-5-yl]oxycyclohexyl]-2-methylpyrimidin-4-amine is Cc1nccc(NC2CCC(Oc3cc(C4=CCOC4)cc4nccnc34)CC2)n1.
What is the InChIKey of N-[4-[7-(2,5-dihydrofuran-3-yl)quinoxalin-5-yl]oxycyclohexyl]-2-methylpyrimidin-4-amine?
The InChIKey is KEQLEBNCADGQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-15-24-8-6-22(27-15)28-18-2-4-19(5-3-18)30-21-13-17(16-7-11-29-14-16)12-20-23(21)26-10-9-25-20/h6-10,12-13,18-19H,2-5,11,14H2,1H3,(H,24,27,28).
What are the key properties of N-[4-[7-(2,5-dihydrofuran-3-yl)quinoxalin-5-yl]oxycyclohexyl]-2-methylpyrimidin-4-amine?
N-[4-[7-(2,5-dihydrofuran-3-yl)quinoxalin-5-yl]oxycyclohexyl]-2-methylpyrimidin-4-amine has a molecular weight of 403.49 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-(2,5-dihydrofuran-3-yl)quinoxalin-5-yl]oxycyclohexyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 121335936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).