2-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-7H-purin-6-amine

C23H25N7O4 — CID 117091578

IUPAC2-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-7H-purin-6-amine
SMILESCOc1cc(Nc2nc(-c3ccc(N4CCOCC4)nc3)nc3nc[nH]c23)cc(OC)c1OC
InChIInChI=1S/C23H25N7O4/c1-31-16-10-15(11-17(32-2)20(16)33-3)27-23-19-22(26-13-25-19)28-21(29-23)14-4-5-18(24-12-14)30-6-8-34-9-7-30/h4-5,10-13H,6-9H2,1-3H3,(H2,25,26,27,28,29)
InChIKeyBXJWFOLMACEDLE-UHFFFAOYSA-N
MW463.50 g/mol
LogP3.02
Rot. Bonds7

About 2-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-7H-purin-6-amine

2-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-7H-purin-6-amine (PubChem CID 117091578) has the molecular formula C23H25N7O4 and a molecular weight of 463.50 g/mol. Its IUPAC name is 2-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-7H-purin-6-amine.

Molecular Properties

Compound Name2-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-7H-purin-6-amine
PubChem CID117091578
Molecular FormulaC23H25N7O4
Molecular Weight463.50 g/mol
Exact Mass463.20
IUPAC Name2-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-7H-purin-6-amine
SMILESCOc1cc(Nc2nc(-c3ccc(N4CCOCC4)nc3)nc3nc[nH]c23)cc(OC)c1OC
InChIInChI=1S/C23H25N7O4/c1-31-16-10-15(11-17(32-2)20(16)33-3)27-23-19-22(26-13-25-19)28-21(29-23)14-4-5-18(24-12-14)30-6-8-34-9-7-30/h4-5,10-13H,6-9H2,1-3H3,(H2,25,26,27,28,29)
InChIKeyBXJWFOLMACEDLE-UHFFFAOYSA-N
XLogP3.02
TPSA119.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-7H-purin-6-amine with MolForge

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Related Compounds

6,7-dimethoxy-2-(6-morpholin-4-yl-3-pyridinyl)-N-(4-phenoxyphenyl)quinazolin-4-amine
CID 117087831
N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-7H-purin-2-amine
CID 45493316
2-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)-7H-purin-6-amine
CID 117079432
2-N-pyridin-3-yl-6-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine
CID 117087762
4-[6-(4-morpholin-4-ylanilino)-7H-purin-2-yl]benzamide
CID 117080367
2-(6-methoxy-3-pyridinyl)-N-phenyl-7H-purin-6-amine
CID 117079759
4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine
CID 58507795
4-[2-(1H-indol-6-yl)-7H-purin-6-yl]morpholine
CID 46225260
6-methyl-2-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-4-amine
CID 117085161
4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23536078
5-morpholin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazine-2-carboxamide
CID 109276725
2-(6-methoxy-3-pyridinyl)-N-(4-phenoxyphenyl)-7H-purin-6-amine
CID 117084081

Frequently Asked Questions

What is the IUPAC name of 2-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-7H-purin-6-amine?
The IUPAC name of 2-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-7H-purin-6-amine (CID 117091578) is 2-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-7H-purin-6-amine.
What is the SMILES notation for 2-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-7H-purin-6-amine?
The canonical SMILES for 2-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-7H-purin-6-amine is COc1cc(Nc2nc(-c3ccc(N4CCOCC4)nc3)nc3nc[nH]c23)cc(OC)c1OC.
What is the InChIKey of 2-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-7H-purin-6-amine?
The InChIKey is BXJWFOLMACEDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O4/c1-31-16-10-15(11-17(32-2)20(16)33-3)27-23-19-22(26-13-25-19)28-21(29-23)14-4-5-18(24-12-14)30-6-8-34-9-7-30/h4-5,10-13H,6-9H2,1-3H3,(H2,25,26,27,28,29).
What are the key properties of 2-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-7H-purin-6-amine?
2-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-7H-purin-6-amine has a molecular weight of 463.50 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-7H-purin-6-amine is sourced from PubChem (CID 117091578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).