2-amino-2-(methylaminomethyl)-1H-purin-6-one

C7H10N6O — CID 172739730

IUPAC2-amino-2-(methylaminomethyl)-1H-purin-6-one
SMILESCNCC1(N)N=C2N=CN=C2C(=O)N1
InChIInChI=1S/C7H10N6O/c1-9-2-7(8)12-5-4(6(14)13-7)10-3-11-5/h3,9H,2,8H2,1H3,(H,13,14)
InChIKeyIXVXRYLIANUFBC-UHFFFAOYSA-N
MW194.20 g/mol
LogP-2.17
Rot. Bonds2

About 2-amino-2-(methylaminomethyl)-1H-purin-6-one

2-amino-2-(methylaminomethyl)-1H-purin-6-one (PubChem CID 172739730) has the molecular formula C7H10N6O and a molecular weight of 194.20 g/mol. Its IUPAC name is 2-amino-2-(methylaminomethyl)-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-2-(methylaminomethyl)-1H-purin-6-one
PubChem CID172739730
Molecular FormulaC7H10N6O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name2-amino-2-(methylaminomethyl)-1H-purin-6-one
SMILESCNCC1(N)N=C2N=CN=C2C(=O)N1
InChIInChI=1S/C7H10N6O/c1-9-2-7(8)12-5-4(6(14)13-7)10-3-11-5/h3,9H,2,8H2,1H3,(H,13,14)
InChIKeyIXVXRYLIANUFBC-UHFFFAOYSA-N
XLogP-2.17
TPSA104.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 5-2.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(methylaminomethyl)-1H-purin-6-one?
The IUPAC name of 2-amino-2-(methylaminomethyl)-1H-purin-6-one (CID 172739730) is 2-amino-2-(methylaminomethyl)-1H-purin-6-one.
What is the SMILES notation for 2-amino-2-(methylaminomethyl)-1H-purin-6-one?
The canonical SMILES for 2-amino-2-(methylaminomethyl)-1H-purin-6-one is CNCC1(N)N=C2N=CN=C2C(=O)N1.
What is the InChIKey of 2-amino-2-(methylaminomethyl)-1H-purin-6-one?
The InChIKey is IXVXRYLIANUFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O/c1-9-2-7(8)12-5-4(6(14)13-7)10-3-11-5/h3,9H,2,8H2,1H3,(H,13,14).
What are the key properties of 2-amino-2-(methylaminomethyl)-1H-purin-6-one?
2-amino-2-(methylaminomethyl)-1H-purin-6-one has a molecular weight of 194.20 g/mol, XLogP of -2.17, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(methylaminomethyl)-1H-purin-6-one is sourced from PubChem (CID 172739730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).