N-(6-methoxy-3-pyridinyl)-3-[2-methyl-9-(oxan-2-yl)purin-6-yl]-5-morpholin-4-ylpyridin-2-amine

C26H30N8O3 — CID 66600187

IUPACN-(6-methoxy-3-pyridinyl)-3-[2-methyl-9-(oxan-2-yl)purin-6-yl]-5-morpholin-4-ylpyridin-2-amine
SMILESCOc1ccc(Nc2ncc(N3CCOCC3)cc2-c2nc(C)nc3c2ncn3C2CCCCO2)cn1
InChIInChI=1S/C26H30N8O3/c1-17-30-23(24-26(31-17)34(16-29-24)22-5-3-4-10-37-22)20-13-19(33-8-11-36-12-9-33)15-28-25(20)32-18-6-7-21(35-2)27-14-18/h6-7,13-16,22H,3-5,8-12H2,1-2H3,(H,28,32)
InChIKeySCSNVLJYATYRPA-UHFFFAOYSA-N
MW502.58 g/mol
LogP3.88
Rot. Bonds6

About N-(6-methoxy-3-pyridinyl)-3-[2-methyl-9-(oxan-2-yl)purin-6-yl]-5-morpholin-4-ylpyridin-2-amine

N-(6-methoxy-3-pyridinyl)-3-[2-methyl-9-(oxan-2-yl)purin-6-yl]-5-morpholin-4-ylpyridin-2-amine (PubChem CID 66600187) has the molecular formula C26H30N8O3 and a molecular weight of 502.58 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-3-[2-methyl-9-(oxan-2-yl)purin-6-yl]-5-morpholin-4-ylpyridin-2-amine.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-3-[2-methyl-9-(oxan-2-yl)purin-6-yl]-5-morpholin-4-ylpyridin-2-amine
PubChem CID66600187
Molecular FormulaC26H30N8O3
Molecular Weight502.58 g/mol
Exact Mass502.24
IUPAC NameN-(6-methoxy-3-pyridinyl)-3-[2-methyl-9-(oxan-2-yl)purin-6-yl]-5-morpholin-4-ylpyridin-2-amine
SMILESCOc1ccc(Nc2ncc(N3CCOCC3)cc2-c2nc(C)nc3c2ncn3C2CCCCO2)cn1
InChIInChI=1S/C26H30N8O3/c1-17-30-23(24-26(31-17)34(16-29-24)22-5-3-4-10-37-22)20-13-19(33-8-11-36-12-9-33)15-28-25(20)32-18-6-7-21(35-2)27-14-18/h6-7,13-16,22H,3-5,8-12H2,1-2H3,(H,28,32)
InChIKeySCSNVLJYATYRPA-UHFFFAOYSA-N
XLogP3.88
TPSA112.34 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.58
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-3-[2-methyl-9-(oxan-2-yl)purin-6-yl]-5-morpholin-4-ylpyridin-2-amine?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-3-[2-methyl-9-(oxan-2-yl)purin-6-yl]-5-morpholin-4-ylpyridin-2-amine (CID 66600187) is N-(6-methoxy-3-pyridinyl)-3-[2-methyl-9-(oxan-2-yl)purin-6-yl]-5-morpholin-4-ylpyridin-2-amine.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-3-[2-methyl-9-(oxan-2-yl)purin-6-yl]-5-morpholin-4-ylpyridin-2-amine?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-3-[2-methyl-9-(oxan-2-yl)purin-6-yl]-5-morpholin-4-ylpyridin-2-amine is COc1ccc(Nc2ncc(N3CCOCC3)cc2-c2nc(C)nc3c2ncn3C2CCCCO2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-3-[2-methyl-9-(oxan-2-yl)purin-6-yl]-5-morpholin-4-ylpyridin-2-amine?
The InChIKey is SCSNVLJYATYRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O3/c1-17-30-23(24-26(31-17)34(16-29-24)22-5-3-4-10-37-22)20-13-19(33-8-11-36-12-9-33)15-28-25(20)32-18-6-7-21(35-2)27-14-18/h6-7,13-16,22H,3-5,8-12H2,1-2H3,(H,28,32).
What are the key properties of N-(6-methoxy-3-pyridinyl)-3-[2-methyl-9-(oxan-2-yl)purin-6-yl]-5-morpholin-4-ylpyridin-2-amine?
N-(6-methoxy-3-pyridinyl)-3-[2-methyl-9-(oxan-2-yl)purin-6-yl]-5-morpholin-4-ylpyridin-2-amine has a molecular weight of 502.58 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-3-[2-methyl-9-(oxan-2-yl)purin-6-yl]-5-morpholin-4-ylpyridin-2-amine is sourced from PubChem (CID 66600187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).