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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Launch Full Analysis

Related Compounds

N-[4-[7-[(2R)-2-methylmorpholin-4-yl]quinoxalin-5-yl]oxycyclohexyl]pyrimidin-2-amine
CID 90443905
8-[4-[(6-Ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxy-1-methyl-6-morpholin-4-ylquinoxalin-2-one
CID 139342851
1-(4-Fluorophenyl)-3-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]urea
CID 71678672
2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine
CID 86280756
6-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine
CID 86280757
2-fluoro-4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide
CID 86281708
2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide
CID 86281710
3-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide
CID 86281711
3-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-4-carboxamide
CID 86281846
1-(3-Fluorophenyl)-3-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]urea
CID 89713466
1-[3-Fluoro-5-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-(3-fluorophenyl)urea
CID 89713560
1-[2,3-Difluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-(3-fluorophenyl)urea
CID 89713561

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).