(3R)-3-methyl-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-pyridin-2-yl-7H-purin-6-yl]morpholine

C20H25N7O2 — CID 71522882

IUPAC(3R)-3-methyl-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-pyridin-2-yl-7H-purin-6-yl]morpholine
SMILESC[C@@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2[nH]c(-c3ccccn3)nc2n1
InChIInChI=1S/C20H25N7O2/c1-13-11-28-9-7-26(13)19-16-18(23-17(22-16)15-5-3-4-6-21-15)24-20(25-19)27-8-10-29-12-14(27)2/h3-6,13-14H,7-12H2,1-2H3,(H,22,23,24,25)/t13-,14-/m1/s1
InChIKeyKJJLOWSUBHUIBW-ZIAGYGMSSA-N
MW395.47 g/mol
LogP1.87
Rot. Bonds3

About (3R)-3-methyl-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-pyridin-2-yl-7H-purin-6-yl]morpholine

(3R)-3-methyl-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-pyridin-2-yl-7H-purin-6-yl]morpholine (PubChem CID 71522882) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is (3R)-3-methyl-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-pyridin-2-yl-7H-purin-6-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-pyridin-2-yl-7H-purin-6-yl]morpholine
PubChem CID71522882
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name(3R)-3-methyl-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-pyridin-2-yl-7H-purin-6-yl]morpholine
SMILESC[C@@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2[nH]c(-c3ccccn3)nc2n1
InChIInChI=1S/C20H25N7O2/c1-13-11-28-9-7-26(13)19-16-18(23-17(22-16)15-5-3-4-6-21-15)24-20(25-19)27-8-10-29-12-14(27)2/h3-6,13-14H,7-12H2,1-2H3,(H,22,23,24,25)/t13-,14-/m1/s1
InChIKeyKJJLOWSUBHUIBW-ZIAGYGMSSA-N
XLogP1.87
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-pyridin-2-yl-7H-purin-6-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-pyridin-2-yl-7H-purin-6-yl]morpholine (CID 71522882) is (3R)-3-methyl-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-pyridin-2-yl-7H-purin-6-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-pyridin-2-yl-7H-purin-6-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-pyridin-2-yl-7H-purin-6-yl]morpholine is C[C@@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2[nH]c(-c3ccccn3)nc2n1.
What is the InChIKey of (3R)-3-methyl-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-pyridin-2-yl-7H-purin-6-yl]morpholine?
The InChIKey is KJJLOWSUBHUIBW-ZIAGYGMSSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-13-11-28-9-7-26(13)19-16-18(23-17(22-16)15-5-3-4-6-21-15)24-20(25-19)27-8-10-29-12-14(27)2/h3-6,13-14H,7-12H2,1-2H3,(H,22,23,24,25)/t13-,14-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-pyridin-2-yl-7H-purin-6-yl]morpholine?
(3R)-3-methyl-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-pyridin-2-yl-7H-purin-6-yl]morpholine has a molecular weight of 395.47 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-pyridin-2-yl-7H-purin-6-yl]morpholine is sourced from PubChem (CID 71522882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).