N-(2-methyl-6-oxo-9-phenylpurin-1-yl)-2-morpholin-4-ylacetamide

C18H20N6O3 — CID 2816783

IUPACN-(2-methyl-6-oxo-9-phenylpurin-1-yl)-2-morpholin-4-ylacetamide
SMILESCc1nc2c(ncn2-c2ccccc2)c(=O)n1NC(=O)CN1CCOCC1
InChIInChI=1S/C18H20N6O3/c1-13-20-17-16(19-12-23(17)14-5-3-2-4-6-14)18(26)24(13)21-15(25)11-22-7-9-27-10-8-22/h2-6,12H,7-11H2,1H3,(H,21,25)
InChIKeyUZUVTNZNCCLPCA-UHFFFAOYSA-N
MW368.40 g/mol
LogP0.29
Rot. Bonds4

About N-(2-methyl-6-oxo-9-phenylpurin-1-yl)-2-morpholin-4-ylacetamide

N-(2-methyl-6-oxo-9-phenylpurin-1-yl)-2-morpholin-4-ylacetamide (PubChem CID 2816783) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is N-(2-methyl-6-oxo-9-phenylpurin-1-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(2-methyl-6-oxo-9-phenylpurin-1-yl)-2-morpholin-4-ylacetamide
PubChem CID2816783
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC NameN-(2-methyl-6-oxo-9-phenylpurin-1-yl)-2-morpholin-4-ylacetamide
SMILESCc1nc2c(ncn2-c2ccccc2)c(=O)n1NC(=O)CN1CCOCC1
InChIInChI=1S/C18H20N6O3/c1-13-20-17-16(19-12-23(17)14-5-3-2-4-6-14)18(26)24(13)21-15(25)11-22-7-9-27-10-8-22/h2-6,12H,7-11H2,1H3,(H,21,25)
InChIKeyUZUVTNZNCCLPCA-UHFFFAOYSA-N
XLogP0.29
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-oxo-9-phenylpurin-1-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(2-methyl-6-oxo-9-phenylpurin-1-yl)-2-morpholin-4-ylacetamide (CID 2816783) is N-(2-methyl-6-oxo-9-phenylpurin-1-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(2-methyl-6-oxo-9-phenylpurin-1-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(2-methyl-6-oxo-9-phenylpurin-1-yl)-2-morpholin-4-ylacetamide is Cc1nc2c(ncn2-c2ccccc2)c(=O)n1NC(=O)CN1CCOCC1.
What is the InChIKey of N-(2-methyl-6-oxo-9-phenylpurin-1-yl)-2-morpholin-4-ylacetamide?
The InChIKey is UZUVTNZNCCLPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-13-20-17-16(19-12-23(17)14-5-3-2-4-6-14)18(26)24(13)21-15(25)11-22-7-9-27-10-8-22/h2-6,12H,7-11H2,1H3,(H,21,25).
What are the key properties of N-(2-methyl-6-oxo-9-phenylpurin-1-yl)-2-morpholin-4-ylacetamide?
N-(2-methyl-6-oxo-9-phenylpurin-1-yl)-2-morpholin-4-ylacetamide has a molecular weight of 368.40 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-oxo-9-phenylpurin-1-yl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 2816783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).