2-[(2-methoxy-3-pyridinyl)amino]-6-morpholin-4-yl-9-(oxan-4-yl)-7H-purin-8-one

C20H25N7O4 — CID 71062050

IUPAC2-[(2-methoxy-3-pyridinyl)amino]-6-morpholin-4-yl-9-(oxan-4-yl)-7H-purin-8-one
SMILESCOc1ncccc1Nc1nc(N2CCOCC2)c2[nH]c(=O)n(C3CCOCC3)c2n1
InChIInChI=1S/C20H25N7O4/c1-29-18-14(3-2-6-21-18)22-19-24-16(26-7-11-31-12-8-26)15-17(25-19)27(20(28)23-15)13-4-9-30-10-5-13/h2-3,6,13H,4-5,7-12H2,1H3,(H,23,28)(H,22,24,25)
InChIKeyREOMVOFFGUAJIH-UHFFFAOYSA-N
MW427.47 g/mol
LogP1.45
Rot. Bonds5

About 2-[(2-methoxy-3-pyridinyl)amino]-6-morpholin-4-yl-9-(oxan-4-yl)-7H-purin-8-one

2-[(2-methoxy-3-pyridinyl)amino]-6-morpholin-4-yl-9-(oxan-4-yl)-7H-purin-8-one (PubChem CID 71062050) has the molecular formula C20H25N7O4 and a molecular weight of 427.47 g/mol. Its IUPAC name is 2-[(2-methoxy-3-pyridinyl)amino]-6-morpholin-4-yl-9-(oxan-4-yl)-7H-purin-8-one.

Molecular Properties

Compound Name2-[(2-methoxy-3-pyridinyl)amino]-6-morpholin-4-yl-9-(oxan-4-yl)-7H-purin-8-one
PubChem CID71062050
Molecular FormulaC20H25N7O4
Molecular Weight427.47 g/mol
Exact Mass427.20
IUPAC Name2-[(2-methoxy-3-pyridinyl)amino]-6-morpholin-4-yl-9-(oxan-4-yl)-7H-purin-8-one
SMILESCOc1ncccc1Nc1nc(N2CCOCC2)c2[nH]c(=O)n(C3CCOCC3)c2n1
InChIInChI=1S/C20H25N7O4/c1-29-18-14(3-2-6-21-18)22-19-24-16(26-7-11-31-12-8-26)15-17(25-19)27(20(28)23-15)13-4-9-30-10-5-13/h2-3,6,13H,4-5,7-12H2,1H3,(H,23,28)(H,22,24,25)
InChIKeyREOMVOFFGUAJIH-UHFFFAOYSA-N
XLogP1.45
TPSA119.42 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[(2-methoxy-3-pyridinyl)amino]-6-morpholin-4-yl-9-(oxan-4-yl)-7H-purin-8-one with MolForge

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Launch Full Analysis

Related Compounds

2-[(2-methoxy-3-pyridinyl)amino]-9-piperidin-4-yl-7H-purin-8-one
CID 141352684
2-[[5-(difluoromethyl)-2-methoxy-3-pyridinyl]amino]-9-(oxan-4-yl)-7H-purin-8-one
CID 71062086
2-[2-[(2-methoxy-3-pyridinyl)amino]-8-oxo-7H-purin-9-yl]cyclohexane-1-carbonitrile
CID 90218239
tert-butyl (3R)-3-[[4-[(2-methoxy-3-pyridinyl)amino]-5-methyl-6-morpholin-4-ylpyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 90411138
7-methoxy-3-(oxan-4-yl)-1H-benzimidazol-2-one
CID 117206184
2-[(2-methoxy-3-pyridinyl)-methylamino]-7-methyl-9-(oxan-4-yl)purin-8-one
CID 71061998
9-[(1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]-2-[(2-methoxy-3-pyridinyl)amino]-7H-purin-8-one
CID 90218331
2-(6-fluorobenzimidazol-1-yl)-6-[(3S)-3-fluoropyrrolidin-1-yl]-9-(oxan-4-yl)-7H-purin-8-one
CID 24830381
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(oxan-4-yl)-6-piperazin-1-yl-7H-purin-8-one
CID 67123674
N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-7H-purin-2-amine
CID 45493316
3-[[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid
CID 71246113
2-[(2-methoxy-3-pyridinyl)amino]-9-[(1S,2R)-2-methylcyclohexyl]-7-(2-trimethylsilylethoxymethyl)purin-8-one
CID 90218569

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-3-pyridinyl)amino]-6-morpholin-4-yl-9-(oxan-4-yl)-7H-purin-8-one?
The IUPAC name of 2-[(2-methoxy-3-pyridinyl)amino]-6-morpholin-4-yl-9-(oxan-4-yl)-7H-purin-8-one (CID 71062050) is 2-[(2-methoxy-3-pyridinyl)amino]-6-morpholin-4-yl-9-(oxan-4-yl)-7H-purin-8-one.
What is the SMILES notation for 2-[(2-methoxy-3-pyridinyl)amino]-6-morpholin-4-yl-9-(oxan-4-yl)-7H-purin-8-one?
The canonical SMILES for 2-[(2-methoxy-3-pyridinyl)amino]-6-morpholin-4-yl-9-(oxan-4-yl)-7H-purin-8-one is COc1ncccc1Nc1nc(N2CCOCC2)c2[nH]c(=O)n(C3CCOCC3)c2n1.
What is the InChIKey of 2-[(2-methoxy-3-pyridinyl)amino]-6-morpholin-4-yl-9-(oxan-4-yl)-7H-purin-8-one?
The InChIKey is REOMVOFFGUAJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O4/c1-29-18-14(3-2-6-21-18)22-19-24-16(26-7-11-31-12-8-26)15-17(25-19)27(20(28)23-15)13-4-9-30-10-5-13/h2-3,6,13H,4-5,7-12H2,1H3,(H,23,28)(H,22,24,25).
What are the key properties of 2-[(2-methoxy-3-pyridinyl)amino]-6-morpholin-4-yl-9-(oxan-4-yl)-7H-purin-8-one?
2-[(2-methoxy-3-pyridinyl)amino]-6-morpholin-4-yl-9-(oxan-4-yl)-7H-purin-8-one has a molecular weight of 427.47 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-3-pyridinyl)amino]-6-morpholin-4-yl-9-(oxan-4-yl)-7H-purin-8-one is sourced from PubChem (CID 71062050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).