4,6-difluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine

C22H24F2N6O2 — CID 90443979

IUPAC4,6-difluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine
SMILESFc1cc(F)nc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1
InChIInChI=1S/C22H24F2N6O2/c23-19-13-20(24)29-22(28-19)27-14-1-3-16(4-2-14)32-18-12-15(30-7-9-31-10-8-30)11-17-21(18)26-6-5-25-17/h5-6,11-14,16H,1-4,7-10H2,(H,27,28,29)
InChIKeyNPSPISIQQWLVFS-UHFFFAOYSA-N
MW442.47 g/mol
LogP3.34
Rot. Bonds5

About 4,6-difluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine

4,6-difluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine (PubChem CID 90443979) has the molecular formula C22H24F2N6O2 and a molecular weight of 442.47 g/mol. Its IUPAC name is 4,6-difluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-difluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine
PubChem CID90443979
Molecular FormulaC22H24F2N6O2
Molecular Weight442.47 g/mol
Exact Mass442.19
IUPAC Name4,6-difluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine
SMILESFc1cc(F)nc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1
InChIInChI=1S/C22H24F2N6O2/c23-19-13-20(24)29-22(28-19)27-14-1-3-16(4-2-14)32-18-12-15(30-7-9-31-10-8-30)11-17-21(18)26-6-5-25-17/h5-6,11-14,16H,1-4,7-10H2,(H,27,28,29)
InChIKeyNPSPISIQQWLVFS-UHFFFAOYSA-N
XLogP3.34
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine?
The IUPAC name of 4,6-difluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine (CID 90443979) is 4,6-difluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-difluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-difluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine is Fc1cc(F)nc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.
What is the InChIKey of 4,6-difluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine?
The InChIKey is NPSPISIQQWLVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N6O2/c23-19-13-20(24)29-22(28-19)27-14-1-3-16(4-2-14)32-18-12-15(30-7-9-31-10-8-30)11-17-21(18)26-6-5-25-17/h5-6,11-14,16H,1-4,7-10H2,(H,27,28,29).
What are the key properties of 4,6-difluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine?
4,6-difluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine has a molecular weight of 442.47 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine is sourced from PubChem (CID 90443979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).