N-[4-(3-butyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine

C26H34N6O2 — CID 90443908

IUPACN-[4-(3-butyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine
SMILESCCCCc1cnc2cc(N3CCOCC3)cc(OC3CCC(Nc4ncccn4)CC3)c2n1
InChIInChI=1S/C26H34N6O2/c1-2-3-5-20-18-29-23-16-21(32-12-14-33-15-13-32)17-24(25(23)30-20)34-22-8-6-19(7-9-22)31-26-27-10-4-11-28-26/h4,10-11,16-19,22H,2-3,5-9,12-15H2,1H3,(H,27,28,31)
InChIKeyMEQFVZHXHFJCAJ-UHFFFAOYSA-N
MW462.60 g/mol
LogP4.40
Rot. Bonds8

About N-[4-(3-butyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine

N-[4-(3-butyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine (PubChem CID 90443908) has the molecular formula C26H34N6O2 and a molecular weight of 462.60 g/mol. Its IUPAC name is N-[4-(3-butyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-(3-butyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine
PubChem CID90443908
Molecular FormulaC26H34N6O2
Molecular Weight462.60 g/mol
Exact Mass462.27
IUPAC NameN-[4-(3-butyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine
SMILESCCCCc1cnc2cc(N3CCOCC3)cc(OC3CCC(Nc4ncccn4)CC3)c2n1
InChIInChI=1S/C26H34N6O2/c1-2-3-5-20-18-29-23-16-21(32-12-14-33-15-13-32)17-24(25(23)30-20)34-22-8-6-19(7-9-22)31-26-27-10-4-11-28-26/h4,10-11,16-19,22H,2-3,5-9,12-15H2,1H3,(H,27,28,31)
InChIKeyMEQFVZHXHFJCAJ-UHFFFAOYSA-N
XLogP4.40
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine
CID 90454078
1-methyl-6-morpholin-4-yl-8-[4-(pyrimidin-2-ylamino)cyclohexyl]oxyquinoxalin-2-one
CID 139342829
N-[4-(3-methyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine
CID 121335854
3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
CID 121335611
2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile
CID 90443904
5-fluoro-4-N-methyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine
CID 121335706
5-[[(2-methyloxolan-3-yl)amino]methyl]-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine
CID 170121746
3-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
CID 121335616
4-[2-(dimethylamino)ethoxy]-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine
CID 121335599
4-(2-morpholin-4-ylethoxy)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine
CID 121335600
5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-3-amine
CID 121335923
3,5-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
CID 121335619

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-butyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine?
The IUPAC name of N-[4-(3-butyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine (CID 90443908) is N-[4-(3-butyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine.
What is the SMILES notation for N-[4-(3-butyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine?
The canonical SMILES for N-[4-(3-butyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine is CCCCc1cnc2cc(N3CCOCC3)cc(OC3CCC(Nc4ncccn4)CC3)c2n1.
What is the InChIKey of N-[4-(3-butyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine?
The InChIKey is MEQFVZHXHFJCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O2/c1-2-3-5-20-18-29-23-16-21(32-12-14-33-15-13-32)17-24(25(23)30-20)34-22-8-6-19(7-9-22)31-26-27-10-4-11-28-26/h4,10-11,16-19,22H,2-3,5-9,12-15H2,1H3,(H,27,28,31).
What are the key properties of N-[4-(3-butyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine?
N-[4-(3-butyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine has a molecular weight of 462.60 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-butyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine is sourced from PubChem (CID 90443908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).