N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-morpholin-4-ylpyridin-2-amine

C21H22N8O2 — CID 59548370

IUPACN-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-morpholin-4-ylpyridin-2-amine
SMILESCOc1ccc(Nc2ncc(N3CCOCC3)cc2-c2nc(C)nc3nc[nH]c23)cn1
InChIInChI=1S/C21H22N8O2/c1-13-26-18(19-21(27-13)25-12-24-19)16-9-15(29-5-7-31-8-6-29)11-23-20(16)28-14-3-4-17(30-2)22-10-14/h3-4,9-12H,5-8H2,1-2H3,(H,23,28)(H,24,25,26,27)
InChIKeyNKCGUSNLGULVEK-UHFFFAOYSA-N
MW418.46 g/mol
LogP2.71
Rot. Bonds5

About N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-morpholin-4-ylpyridin-2-amine

N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-morpholin-4-ylpyridin-2-amine (PubChem CID 59548370) has the molecular formula C21H22N8O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-morpholin-4-ylpyridin-2-amine.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-morpholin-4-ylpyridin-2-amine
PubChem CID59548370
Molecular FormulaC21H22N8O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC NameN-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-morpholin-4-ylpyridin-2-amine
SMILESCOc1ccc(Nc2ncc(N3CCOCC3)cc2-c2nc(C)nc3nc[nH]c23)cn1
InChIInChI=1S/C21H22N8O2/c1-13-26-18(19-21(27-13)25-12-24-19)16-9-15(29-5-7-31-8-6-29)11-23-20(16)28-14-3-4-17(30-2)22-10-14/h3-4,9-12H,5-8H2,1-2H3,(H,23,28)(H,24,25,26,27)
InChIKeyNKCGUSNLGULVEK-UHFFFAOYSA-N
XLogP2.71
TPSA113.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-morpholin-4-ylpyridin-2-amine?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-morpholin-4-ylpyridin-2-amine (CID 59548370) is N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-morpholin-4-ylpyridin-2-amine.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-morpholin-4-ylpyridin-2-amine?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-morpholin-4-ylpyridin-2-amine is COc1ccc(Nc2ncc(N3CCOCC3)cc2-c2nc(C)nc3nc[nH]c23)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-morpholin-4-ylpyridin-2-amine?
The InChIKey is NKCGUSNLGULVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O2/c1-13-26-18(19-21(27-13)25-12-24-19)16-9-15(29-5-7-31-8-6-29)11-23-20(16)28-14-3-4-17(30-2)22-10-14/h3-4,9-12H,5-8H2,1-2H3,(H,23,28)(H,24,25,26,27).
What are the key properties of N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-morpholin-4-ylpyridin-2-amine?
N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-morpholin-4-ylpyridin-2-amine has a molecular weight of 418.46 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-morpholin-4-ylpyridin-2-amine is sourced from PubChem (CID 59548370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).