2-methoxy-N-(6-morpholin-4-yl-7H-purin-2-yl)benzamide

C17H18N6O3 — CID 155567563

IUPAC2-methoxy-N-(6-morpholin-4-yl-7H-purin-2-yl)benzamide
SMILESCOc1ccccc1C(=O)Nc1nc(N2CCOCC2)c2[nH]cnc2n1
InChIInChI=1S/C17H18N6O3/c1-25-12-5-3-2-4-11(12)16(24)22-17-20-14-13(18-10-19-14)15(21-17)23-6-8-26-9-7-23/h2-5,10H,6-9H2,1H3,(H2,18,19,20,21,22,24)
InChIKeyUQEBZUUBEQVSAK-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.45
Rot. Bonds4

About 2-methoxy-N-(6-morpholin-4-yl-7H-purin-2-yl)benzamide

2-methoxy-N-(6-morpholin-4-yl-7H-purin-2-yl)benzamide (PubChem CID 155567563) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is 2-methoxy-N-(6-morpholin-4-yl-7H-purin-2-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(6-morpholin-4-yl-7H-purin-2-yl)benzamide
PubChem CID155567563
Molecular FormulaC17H18N6O3
Molecular Weight354.37 g/mol
Exact Mass354.14
IUPAC Name2-methoxy-N-(6-morpholin-4-yl-7H-purin-2-yl)benzamide
SMILESCOc1ccccc1C(=O)Nc1nc(N2CCOCC2)c2[nH]cnc2n1
InChIInChI=1S/C17H18N6O3/c1-25-12-5-3-2-4-11(12)16(24)22-17-20-14-13(18-10-19-14)15(21-17)23-6-8-26-9-7-23/h2-5,10H,6-9H2,1H3,(H2,18,19,20,21,22,24)
InChIKeyUQEBZUUBEQVSAK-UHFFFAOYSA-N
XLogP1.45
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(6-morpholin-4-yl-7H-purin-2-yl)benzamide?
The IUPAC name of 2-methoxy-N-(6-morpholin-4-yl-7H-purin-2-yl)benzamide (CID 155567563) is 2-methoxy-N-(6-morpholin-4-yl-7H-purin-2-yl)benzamide.
What is the SMILES notation for 2-methoxy-N-(6-morpholin-4-yl-7H-purin-2-yl)benzamide?
The canonical SMILES for 2-methoxy-N-(6-morpholin-4-yl-7H-purin-2-yl)benzamide is COc1ccccc1C(=O)Nc1nc(N2CCOCC2)c2[nH]cnc2n1.
What is the InChIKey of 2-methoxy-N-(6-morpholin-4-yl-7H-purin-2-yl)benzamide?
The InChIKey is UQEBZUUBEQVSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3/c1-25-12-5-3-2-4-11(12)16(24)22-17-20-14-13(18-10-19-14)15(21-17)23-6-8-26-9-7-23/h2-5,10H,6-9H2,1H3,(H2,18,19,20,21,22,24).
What are the key properties of 2-methoxy-N-(6-morpholin-4-yl-7H-purin-2-yl)benzamide?
2-methoxy-N-(6-morpholin-4-yl-7H-purin-2-yl)benzamide has a molecular weight of 354.37 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(6-morpholin-4-yl-7H-purin-2-yl)benzamide is sourced from PubChem (CID 155567563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).