5-fluoro-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one

C22H25FN6O3 — CID 90454092

IUPAC5-fluoro-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one
SMILESO=c1[nH]c(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ncc1F
InChIInChI=1S/C22H25FN6O3/c23-17-13-26-22(28-21(17)30)27-14-1-3-16(4-2-14)32-19-12-15(29-7-9-31-10-8-29)11-18-20(19)25-6-5-24-18/h5-6,11-14,16H,1-4,7-10H2,(H2,26,27,28,30)
InChIKeyUJKUUWPBNODQBF-UHFFFAOYSA-N
MW440.48 g/mol
LogP2.49
Rot. Bonds5

About 5-fluoro-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one

5-fluoro-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one (PubChem CID 90454092) has the molecular formula C22H25FN6O3 and a molecular weight of 440.48 g/mol. Its IUPAC name is 5-fluoro-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one
PubChem CID90454092
Molecular FormulaC22H25FN6O3
Molecular Weight440.48 g/mol
Exact Mass440.20
IUPAC Name5-fluoro-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one
SMILESO=c1[nH]c(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ncc1F
InChIInChI=1S/C22H25FN6O3/c23-17-13-26-22(28-21(17)30)27-14-1-3-16(4-2-14)32-19-12-15(29-7-9-31-10-8-29)11-18-20(19)25-6-5-24-18/h5-6,11-14,16H,1-4,7-10H2,(H2,26,27,28,30)
InChIKeyUJKUUWPBNODQBF-UHFFFAOYSA-N
XLogP2.49
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-fluoro-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one (CID 90454092) is 5-fluoro-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one is O=c1[nH]c(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ncc1F.
What is the InChIKey of 5-fluoro-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one?
The InChIKey is UJKUUWPBNODQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O3/c23-17-13-26-22(28-21(17)30)27-14-1-3-16(4-2-14)32-19-12-15(29-7-9-31-10-8-29)11-18-20(19)25-6-5-24-18/h5-6,11-14,16H,1-4,7-10H2,(H2,26,27,28,30).
What are the key properties of 5-fluoro-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one?
5-fluoro-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one has a molecular weight of 440.48 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 90454092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).