N-[4-[7-[(2R)-2-methylmorpholin-4-yl]quinoxalin-5-yl]oxycyclohexyl]pyrimidin-2-amine

C23H28N6O2 — CID 90443905

IUPACN-[4-[7-[(2R)-2-methylmorpholin-4-yl]quinoxalin-5-yl]oxycyclohexyl]pyrimidin-2-amine
SMILESC[C@@H]1CN(c2cc(OC3CCC(Nc4ncccn4)CC3)c3nccnc3c2)CCO1
InChIInChI=1S/C23H28N6O2/c1-16-15-29(11-12-30-16)18-13-20-22(25-10-9-24-20)21(14-18)31-19-5-3-17(4-6-19)28-23-26-7-2-8-27-23/h2,7-10,13-14,16-17,19H,3-6,11-12,15H2,1H3,(H,26,27,28)/t16-,17?,19?/m1/s1
InChIKeyHFWYEEVFJPICCQ-LRYGQEGESA-N
MW420.52 g/mol
LogP3.45
Rot. Bonds5

About N-[4-[7-[(2R)-2-methylmorpholin-4-yl]quinoxalin-5-yl]oxycyclohexyl]pyrimidin-2-amine

N-[4-[7-[(2R)-2-methylmorpholin-4-yl]quinoxalin-5-yl]oxycyclohexyl]pyrimidin-2-amine (PubChem CID 90443905) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N-[4-[7-[(2R)-2-methylmorpholin-4-yl]quinoxalin-5-yl]oxycyclohexyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[7-[(2R)-2-methylmorpholin-4-yl]quinoxalin-5-yl]oxycyclohexyl]pyrimidin-2-amine
PubChem CID90443905
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC NameN-[4-[7-[(2R)-2-methylmorpholin-4-yl]quinoxalin-5-yl]oxycyclohexyl]pyrimidin-2-amine
SMILESC[C@@H]1CN(c2cc(OC3CCC(Nc4ncccn4)CC3)c3nccnc3c2)CCO1
InChIInChI=1S/C23H28N6O2/c1-16-15-29(11-12-30-16)18-13-20-22(25-10-9-24-20)21(14-18)31-19-5-3-17(4-6-19)28-23-26-7-2-8-27-23/h2,7-10,13-14,16-17,19H,3-6,11-12,15H2,1H3,(H,26,27,28)/t16-,17?,19?/m1/s1
InChIKeyHFWYEEVFJPICCQ-LRYGQEGESA-N
XLogP3.45
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-[7-[(2R)-2-methylmorpholin-4-yl]quinoxalin-5-yl]oxycyclohexyl]pyrimidin-2-amine with MolForge

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Related Compounds

AZ4800
CID 50996844
4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
CID 156599543
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
2-(difluoromethyl)-3-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-7-methoxy-N-methylbenzimidazol-5-amine
CID 56593677
4-[6-Methoxy-3,4-dimethyl-1-(3-methyl-4-pyridinyl)imidazo[1,5-a]quinoxalin-8-yl]morpholine
CID 56648862
N-[3-[3-methyl-7-[4-(4-methylpiperazin-1-yl)-2-propan-2-yloxyanilino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]phenyl]prop-2-enamide
CID 57341297
N6-cyclohexyl-N2-[2-methoxy-4-[4-(2-pyridylmethyl)piperazin-1-yl]phenyl]-9H-purine-2,6-diamine
CID 68749727
4-N-(2-dimethylphosphorylphenyl)-5-methoxy-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine
CID 89773144
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-[(2R)-2-methylmorpholin-4-yl]quinoxalin-5-yl]oxycyclohexyl]pyrimidin-2-amine?
The IUPAC name of N-[4-[7-[(2R)-2-methylmorpholin-4-yl]quinoxalin-5-yl]oxycyclohexyl]pyrimidin-2-amine (CID 90443905) is N-[4-[7-[(2R)-2-methylmorpholin-4-yl]quinoxalin-5-yl]oxycyclohexyl]pyrimidin-2-amine.
What is the SMILES notation for N-[4-[7-[(2R)-2-methylmorpholin-4-yl]quinoxalin-5-yl]oxycyclohexyl]pyrimidin-2-amine?
The canonical SMILES for N-[4-[7-[(2R)-2-methylmorpholin-4-yl]quinoxalin-5-yl]oxycyclohexyl]pyrimidin-2-amine is C[C@@H]1CN(c2cc(OC3CCC(Nc4ncccn4)CC3)c3nccnc3c2)CCO1.
What is the InChIKey of N-[4-[7-[(2R)-2-methylmorpholin-4-yl]quinoxalin-5-yl]oxycyclohexyl]pyrimidin-2-amine?
The InChIKey is HFWYEEVFJPICCQ-LRYGQEGESA-N. The full InChI is InChI=1S/C23H28N6O2/c1-16-15-29(11-12-30-16)18-13-20-22(25-10-9-24-20)21(14-18)31-19-5-3-17(4-6-19)28-23-26-7-2-8-27-23/h2,7-10,13-14,16-17,19H,3-6,11-12,15H2,1H3,(H,26,27,28)/t16-,17?,19?/m1/s1.
What are the key properties of N-[4-[7-[(2R)-2-methylmorpholin-4-yl]quinoxalin-5-yl]oxycyclohexyl]pyrimidin-2-amine?
N-[4-[7-[(2R)-2-methylmorpholin-4-yl]quinoxalin-5-yl]oxycyclohexyl]pyrimidin-2-amine has a molecular weight of 420.52 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-[(2R)-2-methylmorpholin-4-yl]quinoxalin-5-yl]oxycyclohexyl]pyrimidin-2-amine is sourced from PubChem (CID 90443905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).