N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]-5-propoxypyrimidin-2-amine

C25H32N6O3 — CID 165113223

IUPACN-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]-5-propoxypyrimidin-2-amine
SMILESCCCOc1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncccc34)CC2)nc1
InChIInChI=1S/C25H32N6O3/c1-2-12-33-20-16-27-25(28-17-20)29-18-5-7-19(8-6-18)34-24-21-4-3-9-26-22(21)15-23(30-24)31-10-13-32-14-11-31/h3-4,9,15-19H,2,5-8,10-14H2,1H3,(H,27,28,29)
InChIKeyJJAMHMVKIOCZKK-UHFFFAOYSA-N
MW464.57 g/mol
LogP3.85
Rot. Bonds8

About N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]-5-propoxypyrimidin-2-amine

N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]-5-propoxypyrimidin-2-amine (PubChem CID 165113223) has the molecular formula C25H32N6O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]-5-propoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]-5-propoxypyrimidin-2-amine
PubChem CID165113223
Molecular FormulaC25H32N6O3
Molecular Weight464.57 g/mol
Exact Mass464.25
IUPAC NameN-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]-5-propoxypyrimidin-2-amine
SMILESCCCOc1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncccc34)CC2)nc1
InChIInChI=1S/C25H32N6O3/c1-2-12-33-20-16-27-25(28-17-20)29-18-5-7-19(8-6-18)34-24-21-4-3-9-26-22(21)15-23(30-24)31-10-13-32-14-11-31/h3-4,9,15-19H,2,5-8,10-14H2,1H3,(H,27,28,29)
InChIKeyJJAMHMVKIOCZKK-UHFFFAOYSA-N
XLogP3.85
TPSA94.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-iodo-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine
CID 165113010
1-[2-[[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-4-yl]oxypropan-2-one
CID 175633431
N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyridazin-3-amine
CID 165113093
2-[2-[[4-[(3-methyl-7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetic acid
CID 175633179
2-[2-[[4-[(3-iodo-7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-5-yl]oxy-N,N-dimethylacetamide
CID 165113573
N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyridine-3-carboxamide
CID 165112973
[7-morpholin-4-yl-5-[4-[[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]amino]cyclohexyl]oxy-1,6-naphthyridin-3-yl]methanesulfonamide
CID 175781293
N-[5-[4-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyrimidin-2-yl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide
CID 165113612
5-chloro-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrimidine-2-carboxamide
CID 165112805
4-fluoro-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]benzamide
CID 165112983
5-[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-amine
CID 165113640
N,N-dimethyl-2-[2-[[4-[[3-(methylsulfamoyl)-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide
CID 165113584

Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]-5-propoxypyrimidin-2-amine?
The IUPAC name of N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]-5-propoxypyrimidin-2-amine (CID 165113223) is N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]-5-propoxypyrimidin-2-amine.
What is the SMILES notation for N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]-5-propoxypyrimidin-2-amine?
The canonical SMILES for N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]-5-propoxypyrimidin-2-amine is CCCOc1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncccc34)CC2)nc1.
What is the InChIKey of N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]-5-propoxypyrimidin-2-amine?
The InChIKey is JJAMHMVKIOCZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O3/c1-2-12-33-20-16-27-25(28-17-20)29-18-5-7-19(8-6-18)34-24-21-4-3-9-26-22(21)15-23(30-24)31-10-13-32-14-11-31/h3-4,9,15-19H,2,5-8,10-14H2,1H3,(H,27,28,29).
What are the key properties of N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]-5-propoxypyrimidin-2-amine?
N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]-5-propoxypyrimidin-2-amine has a molecular weight of 464.57 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]-5-propoxypyrimidin-2-amine is sourced from PubChem (CID 165113223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).