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

C26H34FN7O3 — CID 121335783

IUPAC1-[[5-fluoro-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1ncnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c1F
InChIInChI=1S/C26H34FN7O3/c1-26(2,35)15-30-24-22(27)25(32-16-31-24)33-17-3-5-19(6-4-17)37-21-14-18(34-9-11-36-12-10-34)13-20-23(21)29-8-7-28-20/h7-8,13-14,16-17,19,35H,3-6,9-12,15H2,1-2H3,(H2,30,31,32,33)
InChIKeyQUBXISUYOGCTDA-UHFFFAOYSA-N
MW511.60 g/mol
LogP3.38
Rot. Bonds8

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

1-[[5-fluoro-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]amino]-2-methylpropan-2-ol (PubChem CID 121335783) has the molecular formula C26H34FN7O3 and a molecular weight of 511.60 g/mol. Its IUPAC name is 1-[[5-fluoro-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[5-fluoro-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]amino]-2-methylpropan-2-ol
PubChem CID121335783
Molecular FormulaC26H34FN7O3
Molecular Weight511.60 g/mol
Exact Mass511.27
IUPAC Name1-[[5-fluoro-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1ncnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c1F
InChIInChI=1S/C26H34FN7O3/c1-26(2,35)15-30-24-22(27)25(32-16-31-24)33-17-3-5-19(6-4-17)37-21-14-18(34-9-11-36-12-10-34)13-20-23(21)29-8-7-28-20/h7-8,13-14,16-17,19,35H,3-6,9-12,15H2,1-2H3,(H2,30,31,32,33)
InChIKeyQUBXISUYOGCTDA-UHFFFAOYSA-N
XLogP3.38
TPSA117.55 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.60
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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

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Launch Full Analysis

Related Compounds

N(2)-[3-methoxy-4-(morpholin-4-yl)phenyl]-N(4)-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 10202829
4-[6-Methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxalin-8-yl]morpholine
CID 56648951
N-[4-[7-[(2R)-2-methylmorpholin-4-yl]quinoxalin-5-yl]oxycyclohexyl]pyrimidin-2-amine
CID 90443905
5-fluoro-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one
CID 90454092
8-(3,5-difluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 91755037
N-[1-(2-methoxypyridin-4-yl)piperidin-4-yl]-8-[2-(trifluoromethoxy)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118050174
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118051801
CID 118051925
CID 118051925
(7S)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-7-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118238206
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopropane]-2-amine
CID 118246000
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-oxa-2,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),9,11-trien-12-amine
CID 118246257
4-(1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluorophenyl)-N-methylpyridin-2-amine
CID 146450441

Frequently Asked Questions

What is the IUPAC name of 1-[[5-fluoro-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[5-fluoro-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]amino]-2-methylpropan-2-ol (CID 121335783) is 1-[[5-fluoro-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[5-fluoro-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[5-fluoro-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]amino]-2-methylpropan-2-ol is CC(C)(O)CNc1ncnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c1F.
What is the InChIKey of 1-[[5-fluoro-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]amino]-2-methylpropan-2-ol?
The InChIKey is QUBXISUYOGCTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN7O3/c1-26(2,35)15-30-24-22(27)25(32-16-31-24)33-17-3-5-19(6-4-17)37-21-14-18(34-9-11-36-12-10-34)13-20-23(21)29-8-7-28-20/h7-8,13-14,16-17,19,35H,3-6,9-12,15H2,1-2H3,(H2,30,31,32,33).
What are the key properties of 1-[[5-fluoro-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]amino]-2-methylpropan-2-ol?
1-[[5-fluoro-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]amino]-2-methylpropan-2-ol has a molecular weight of 511.60 g/mol, XLogP of 3.38, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-fluoro-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 121335783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).