CAS 10030-78-1 | 6H-Purin-6-one, 1,9-dihydro-2-(methylamino)- | CAS Number 10030-78-1

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10030-78-1 | 6H-Purin-6-one, 1,9-dihydro-2-(methylamino)-

CAS No: 10030-78-1 Catalog No: AG0001J1 MDL No:

Product Description

Catalog Number:

AG0001J1

Chemical Name:

6H-Purin-6-one, 1,9-dihydro-2-(methylamino)-

CAS Number:

10030-78-1

Molecular Formula:

C6H7N5O

Molecular Weight:

165.1527

IUPAC Name:

2-(methylamino)-1,7-dihydropurin-6-one

InChI:

InChI=1S/C6H7N5O/c1-7-6-10-4-3(5(12)11-6)8-2-9-4/h2H,1H3,(H3,7,8,9,10,11,12)

InChI Key:

SGSSKEDGVONRGC-UHFFFAOYSA-N

SMILES:

CNc1[nH]c(=O)c2c(n1)[nH]cn2

NSC Number:

90400

Properties

Complexity:

238

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

165.065g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

165.156g/mol

Monoisotopic Mass:

165.065g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.7

Literature

Title	Journal
Production of yeast (m2G10) methyltransferase (Trm11 and Trm112 complex) in a wheat germ cell-free translation system.	Nucleic acids symposium series (2004) 20090101
Structure-activity relationships for the binding of ligands to xanthine or guanine phosphoribosyl-transferase from Toxoplasma gondii.	Biochemical pharmacology 19951109