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

C22H25FN6O2 — CID 90443897

IUPAC5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine
SMILESFc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1
InChIInChI=1S/C22H25FN6O2/c23-15-13-26-22(27-14-15)28-16-1-3-18(4-2-16)31-20-12-17(29-7-9-30-10-8-29)11-19-21(20)25-6-5-24-19/h5-6,11-14,16,18H,1-4,7-10H2,(H,26,27,28)
InChIKeyMFPMSHOUEVBUQF-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.20
Rot. Bonds5

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

5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine (PubChem CID 90443897) has the molecular formula C22H25FN6O2 and a molecular weight of 424.48 g/mol. Its IUPAC name is 5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine
PubChem CID90443897
Molecular FormulaC22H25FN6O2
Molecular Weight424.48 g/mol
Exact Mass424.20
IUPAC Name5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine
SMILESFc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1
InChIInChI=1S/C22H25FN6O2/c23-15-13-26-22(27-14-15)28-16-1-3-18(4-2-16)31-20-12-17(29-7-9-30-10-8-29)11-19-21(20)25-6-5-24-19/h5-6,11-14,16,18H,1-4,7-10H2,(H,26,27,28)
InChIKeyMFPMSHOUEVBUQF-UHFFFAOYSA-N
XLogP3.20
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine (CID 90443897) is 5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine is Fc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.
What is the InChIKey of 5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine?
The InChIKey is MFPMSHOUEVBUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O2/c23-15-13-26-22(27-14-15)28-16-1-3-18(4-2-16)31-20-12-17(29-7-9-30-10-8-29)11-19-21(20)25-6-5-24-19/h5-6,11-14,16,18H,1-4,7-10H2,(H,26,27,28).
What are the key properties of 5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine?
5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine has a molecular weight of 424.48 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine is sourced from PubChem (CID 90443897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).