(1S)-2-fluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol

C24H29FN6O3 — CID 121380714

IUPAC(1S)-2-fluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol
SMILESO[C@H](CF)c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1
InChIInChI=1S/C24H29FN6O3/c25-13-21(32)16-14-28-24(29-15-16)30-17-1-3-19(4-2-17)34-22-12-18(31-7-9-33-10-8-31)11-20-23(22)27-6-5-26-20/h5-6,11-12,14-15,17,19,21,32H,1-4,7-10,13H2,(H,28,29,30)/t17?,19?,21-/m1/s1
InChIKeyGYAIZXRENQSFSG-CNBHCMJISA-N
MW468.53 g/mol
LogP3.06
Rot. Bonds7

About (1S)-2-fluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol

(1S)-2-fluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol (PubChem CID 121380714) has the molecular formula C24H29FN6O3 and a molecular weight of 468.53 g/mol. Its IUPAC name is (1S)-2-fluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-fluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol
PubChem CID121380714
Molecular FormulaC24H29FN6O3
Molecular Weight468.53 g/mol
Exact Mass468.23
IUPAC Name(1S)-2-fluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol
SMILESO[C@H](CF)c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1
InChIInChI=1S/C24H29FN6O3/c25-13-21(32)16-14-28-24(29-15-16)30-17-1-3-19(4-2-17)34-22-12-18(31-7-9-33-10-8-31)11-20-23(22)27-6-5-26-20/h5-6,11-12,14-15,17,19,21,32H,1-4,7-10,13H2,(H,28,29,30)/t17?,19?,21-/m1/s1
InChIKeyGYAIZXRENQSFSG-CNBHCMJISA-N
XLogP3.06
TPSA105.52 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-fluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol?
The IUPAC name of (1S)-2-fluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol (CID 121380714) is (1S)-2-fluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol.
What is the SMILES notation for (1S)-2-fluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol?
The canonical SMILES for (1S)-2-fluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol is O[C@H](CF)c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.
What is the InChIKey of (1S)-2-fluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol?
The InChIKey is GYAIZXRENQSFSG-CNBHCMJISA-N. The full InChI is InChI=1S/C24H29FN6O3/c25-13-21(32)16-14-28-24(29-15-16)30-17-1-3-19(4-2-17)34-22-12-18(31-7-9-33-10-8-31)11-20-23(22)27-6-5-26-20/h5-6,11-12,14-15,17,19,21,32H,1-4,7-10,13H2,(H,28,29,30)/t17?,19?,21-/m1/s1.
What are the key properties of (1S)-2-fluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol?
(1S)-2-fluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol has a molecular weight of 468.53 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-fluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol is sourced from PubChem (CID 121380714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).