5-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]pyridin-2-amine

C20H26N8O2 — CID 71523318

IUPAC5-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]pyridin-2-amine
SMILESC[C@@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2[nH]c(-c3ccc(N)nc3)nc2n1
InChIInChI=1S/C20H26N8O2/c1-12-10-29-7-5-27(12)19-16-18(24-17(23-16)14-3-4-15(21)22-9-14)25-20(26-19)28-6-8-30-11-13(28)2/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H2,21,22)(H,23,24,25,26)/t12-,13-/m1/s1
InChIKeyUPCZFZITQYXIIG-CHWSQXEVSA-N
MW410.48 g/mol
LogP1.45
Rot. Bonds3

About 5-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]pyridin-2-amine

5-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]pyridin-2-amine (PubChem CID 71523318) has the molecular formula C20H26N8O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 5-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]pyridin-2-amine
PubChem CID71523318
Molecular FormulaC20H26N8O2
Molecular Weight410.48 g/mol
Exact Mass410.22
IUPAC Name5-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]pyridin-2-amine
SMILESC[C@@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2[nH]c(-c3ccc(N)nc3)nc2n1
InChIInChI=1S/C20H26N8O2/c1-12-10-29-7-5-27(12)19-16-18(24-17(23-16)14-3-4-15(21)22-9-14)25-20(26-19)28-6-8-30-11-13(28)2/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H2,21,22)(H,23,24,25,26)/t12-,13-/m1/s1
InChIKeyUPCZFZITQYXIIG-CHWSQXEVSA-N
XLogP1.45
TPSA118.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]pyridin-2-amine?
The IUPAC name of 5-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]pyridin-2-amine (CID 71523318) is 5-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]pyridin-2-amine.
What is the SMILES notation for 5-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]pyridin-2-amine?
The canonical SMILES for 5-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]pyridin-2-amine is C[C@@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2[nH]c(-c3ccc(N)nc3)nc2n1.
What is the InChIKey of 5-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]pyridin-2-amine?
The InChIKey is UPCZFZITQYXIIG-CHWSQXEVSA-N. The full InChI is InChI=1S/C20H26N8O2/c1-12-10-29-7-5-27(12)19-16-18(24-17(23-16)14-3-4-15(21)22-9-14)25-20(26-19)28-6-8-30-11-13(28)2/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H2,21,22)(H,23,24,25,26)/t12-,13-/m1/s1.
What are the key properties of 5-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]pyridin-2-amine?
5-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]pyridin-2-amine has a molecular weight of 410.48 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]pyridin-2-amine is sourced from PubChem (CID 71523318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).