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

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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).