N-methyl-2-[3-methyl-8-(methylamino)-2,6-dioxopurin-7-yl]acetamide

C10H14N6O3 — CID 27370815

IUPACN-methyl-2-[3-methyl-8-(methylamino)-2,6-dioxopurin-7-yl]acetamide
SMILESCNC(=O)Cn1c(NC)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C10H14N6O3/c1-11-5(17)4-16-6-7(13-9(16)12-2)15(3)10(19)14-8(6)18/h4H2,1-3H3,(H,11,17)(H,12,13)(H,14,18,19)
InChIKeyCQKRGWJGTCZFDI-UHFFFAOYSA-N
MW266.26 g/mol
LogP-1.79
Rot. Bonds3

About N-methyl-2-[3-methyl-8-(methylamino)-2,6-dioxopurin-7-yl]acetamide

N-methyl-2-[3-methyl-8-(methylamino)-2,6-dioxopurin-7-yl]acetamide (PubChem CID 27370815) has the molecular formula C10H14N6O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is N-methyl-2-[3-methyl-8-(methylamino)-2,6-dioxopurin-7-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[3-methyl-8-(methylamino)-2,6-dioxopurin-7-yl]acetamide
PubChem CID27370815
Molecular FormulaC10H14N6O3
Molecular Weight266.26 g/mol
Exact Mass266.11
IUPAC NameN-methyl-2-[3-methyl-8-(methylamino)-2,6-dioxopurin-7-yl]acetamide
SMILESCNC(=O)Cn1c(NC)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C10H14N6O3/c1-11-5(17)4-16-6-7(13-9(16)12-2)15(3)10(19)14-8(6)18/h4H2,1-3H3,(H,11,17)(H,12,13)(H,14,18,19)
InChIKeyCQKRGWJGTCZFDI-UHFFFAOYSA-N
XLogP-1.79
TPSA113.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-1.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

7-(2-methoxyethyl)-3-methyl-8-(methylamino)purine-2,6-dione
CID 652075
7-[(2R)-2,3-dihydroxypropyl]-3-methyl-8-(methylamino)purine-2,6-dione
CID 706629
2-[3-methyl-8-(2-methylpropylamino)-2,6-dioxopurin-7-yl]-N-(2-methylpropyl)acetamide
CID 91901173
N-cyclohexyl-2-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]acetamide
CID 657449
N-benzyl-2-[8-(benzylamino)-3-methyl-2,6-dioxopurin-7-yl]acetamide
CID 985871
2-[(3,7-dimethyl-2,6-dioxopurin-8-yl)amino]acetic acid
CID 5136088
3-ethyl-7-methyl-8-(methylamino)purine-2,6-dione
CID 82463994
methyl 2-[3-methyl-8-(4-methylanilino)-2,6-dioxopurin-7-yl]acetate
CID 16618694
2-[3-methyl-8-(2-methylanilino)-2,6-dioxopurin-7-yl]acetic acid
CID 25283433
8-bromo-7-[4-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)butyl]-3-methylpurine-2,6-dione
CID 3736328
8-(2-hydroxyethylamino)-3-methyl-7-nonylpurine-2,6-dione
CID 44892318
8-bromo-3-methyl-7-propylpurine-2,6-dione
CID 747357

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-methyl-8-(methylamino)-2,6-dioxopurin-7-yl]acetamide?
The IUPAC name of N-methyl-2-[3-methyl-8-(methylamino)-2,6-dioxopurin-7-yl]acetamide (CID 27370815) is N-methyl-2-[3-methyl-8-(methylamino)-2,6-dioxopurin-7-yl]acetamide.
What is the SMILES notation for N-methyl-2-[3-methyl-8-(methylamino)-2,6-dioxopurin-7-yl]acetamide?
The canonical SMILES for N-methyl-2-[3-methyl-8-(methylamino)-2,6-dioxopurin-7-yl]acetamide is CNC(=O)Cn1c(NC)nc2c1c(=O)[nH]c(=O)n2C.
What is the InChIKey of N-methyl-2-[3-methyl-8-(methylamino)-2,6-dioxopurin-7-yl]acetamide?
The InChIKey is CQKRGWJGTCZFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O3/c1-11-5(17)4-16-6-7(13-9(16)12-2)15(3)10(19)14-8(6)18/h4H2,1-3H3,(H,11,17)(H,12,13)(H,14,18,19).
What are the key properties of N-methyl-2-[3-methyl-8-(methylamino)-2,6-dioxopurin-7-yl]acetamide?
N-methyl-2-[3-methyl-8-(methylamino)-2,6-dioxopurin-7-yl]acetamide has a molecular weight of 266.26 g/mol, XLogP of -1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-methyl-8-(methylamino)-2,6-dioxopurin-7-yl]acetamide is sourced from PubChem (CID 27370815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).