N-[8-(2,3-dimethoxyphenyl)-6-oxo-1,7-dihydropurin-2-yl]acetamide

C15H15N5O4 — CID 136961366

IUPACN-[8-(2,3-dimethoxyphenyl)-6-oxo-1,7-dihydropurin-2-yl]acetamide
SMILESCOc1cccc(-c2nc3nc(NC(C)=O)[nH]c(=O)c3[nH]2)c1OC
InChIInChI=1S/C15H15N5O4/c1-7(21)16-15-19-13-10(14(22)20-15)17-12(18-13)8-5-4-6-9(23-2)11(8)24-3/h4-6H,1-3H3,(H3,16,17,18,19,20,21,22)
InChIKeyAUKQIOXDNIJPDU-UHFFFAOYSA-N
MW329.32 g/mol
LogP1.29
Rot. Bonds4

About N-[8-(2,3-dimethoxyphenyl)-6-oxo-1,7-dihydropurin-2-yl]acetamide

N-[8-(2,3-dimethoxyphenyl)-6-oxo-1,7-dihydropurin-2-yl]acetamide (PubChem CID 136961366) has the molecular formula C15H15N5O4 and a molecular weight of 329.32 g/mol. Its IUPAC name is N-[8-(2,3-dimethoxyphenyl)-6-oxo-1,7-dihydropurin-2-yl]acetamide.

Molecular Properties

Compound NameN-[8-(2,3-dimethoxyphenyl)-6-oxo-1,7-dihydropurin-2-yl]acetamide
PubChem CID136961366
Molecular FormulaC15H15N5O4
Molecular Weight329.32 g/mol
Exact Mass329.11
IUPAC NameN-[8-(2,3-dimethoxyphenyl)-6-oxo-1,7-dihydropurin-2-yl]acetamide
SMILESCOc1cccc(-c2nc3nc(NC(C)=O)[nH]c(=O)c3[nH]2)c1OC
InChIInChI=1S/C15H15N5O4/c1-7(21)16-15-19-13-10(14(22)20-15)17-12(18-13)8-5-4-6-9(23-2)11(8)24-3/h4-6H,1-3H3,(H3,16,17,18,19,20,21,22)
InChIKeyAUKQIOXDNIJPDU-UHFFFAOYSA-N
XLogP1.29
TPSA121.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-Propoxyphenyl)-6-purinone
CID 135529458
8-((1E)-2-(3,4-Dimethoxyphenyl)ethenyl)-1,3-diethyl-3,9-dihydro-1H-purine-2,6-dione
CID 6445788
1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,3-dimethoxyphenyl)ethenyl)-1,3-dimethyl-, (E)-
CID 5379232
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-8-(2-(2,3,4-trimethoxyphenyl)ethenyl)-, (E)-
CID 6448757
8-(4-Methoxy-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
CID 10085373
8-(3,4-Dimethoxy-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
CID 936858
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(2-(2,3,4-trimethoxyphenyl)ethenyl)-, (E)-
CID 6448750
KF 17837
CID 123739
2-(2,5-Dimethoxyphenyl)-4-methyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one
CID 135415770
8-(3,4-Dimethoxybenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CID 252426
8-(2-Methoxy-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
CID 9994131
(E)-8-(3,4-dimethoxystyryl)-1,3-dipropylxanthine
CID 10475986

Frequently Asked Questions

What is the IUPAC name of N-[8-(2,3-dimethoxyphenyl)-6-oxo-1,7-dihydropurin-2-yl]acetamide?
The IUPAC name of N-[8-(2,3-dimethoxyphenyl)-6-oxo-1,7-dihydropurin-2-yl]acetamide (CID 136961366) is N-[8-(2,3-dimethoxyphenyl)-6-oxo-1,7-dihydropurin-2-yl]acetamide.
What is the SMILES notation for N-[8-(2,3-dimethoxyphenyl)-6-oxo-1,7-dihydropurin-2-yl]acetamide?
The canonical SMILES for N-[8-(2,3-dimethoxyphenyl)-6-oxo-1,7-dihydropurin-2-yl]acetamide is COc1cccc(-c2nc3nc(NC(C)=O)[nH]c(=O)c3[nH]2)c1OC.
What is the InChIKey of N-[8-(2,3-dimethoxyphenyl)-6-oxo-1,7-dihydropurin-2-yl]acetamide?
The InChIKey is AUKQIOXDNIJPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O4/c1-7(21)16-15-19-13-10(14(22)20-15)17-12(18-13)8-5-4-6-9(23-2)11(8)24-3/h4-6H,1-3H3,(H3,16,17,18,19,20,21,22).
What are the key properties of N-[8-(2,3-dimethoxyphenyl)-6-oxo-1,7-dihydropurin-2-yl]acetamide?
N-[8-(2,3-dimethoxyphenyl)-6-oxo-1,7-dihydropurin-2-yl]acetamide has a molecular weight of 329.32 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(2,3-dimethoxyphenyl)-6-oxo-1,7-dihydropurin-2-yl]acetamide is sourced from PubChem (CID 136961366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).