methane;2-methyl-1,7-dihydropurin-6-one;7H-purin-6-amine

C13H19N9O — CID 159357752

IUPACmethane;2-methyl-1,7-dihydropurin-6-one;7H-purin-6-amine
SMILESC.C.Cc1nc2nc[nH]c2c(=O)[nH]1.Nc1ncnc2nc[nH]c12
InChIInChI=1S/C6H6N4O.C5H5N5.2CH4/c1-3-9-5-4(6(11)10-3)7-2-8-5;6-4-3-5(9-1-7-3)10-2-8-4;;/h2H,1H3,(H2,7,8,9,10,11);1-2H,(H3,6,7,8,9,10);2*1H4
InChIKeyLIDGQIIDPFKUIU-UHFFFAOYSA-N
MW317.36 g/mol
LogP1.16
Rot. Bonds

About methane;2-methyl-1,7-dihydropurin-6-one;7H-purin-6-amine

methane;2-methyl-1,7-dihydropurin-6-one;7H-purin-6-amine (PubChem CID 159357752) has the molecular formula C13H19N9O and a molecular weight of 317.36 g/mol. Its IUPAC name is methane;2-methyl-1,7-dihydropurin-6-one;7H-purin-6-amine.

Molecular Properties

Compound Namemethane;2-methyl-1,7-dihydropurin-6-one;7H-purin-6-amine
PubChem CID159357752
Molecular FormulaC13H19N9O
Molecular Weight317.36 g/mol
Exact Mass317.17
IUPAC Namemethane;2-methyl-1,7-dihydropurin-6-one;7H-purin-6-amine
SMILESC.C.Cc1nc2nc[nH]c2c(=O)[nH]1.Nc1ncnc2nc[nH]c12
InChIInChI=1S/C6H6N4O.C5H5N5.2CH4/c1-3-9-5-4(6(11)10-3)7-2-8-5;6-4-3-5(9-1-7-3)10-2-8-4;;/h2H,1H3,(H2,7,8,9,10,11);1-2H,(H3,6,7,8,9,10);2*1H4
InChIKeyLIDGQIIDPFKUIU-UHFFFAOYSA-N
XLogP1.16
TPSA154.91 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-1,7-dihydropurin-6-one
CID 135449674
2-amino-1,7-dihydropurin-6-one;phosphoric acid;7H-purin-6-amine
CID 172703090
methanol;7H-purin-6-amine
CID 67194832
7H-purin-6-amine;hydrochloride
CID 169432832
CID 67796265
CID 67796265
dicopper;dioxidanium;tetrakis(7H-purin-6-amine)
CID 5231973
bis(7H-purin-6-amine);sulfate
CID 23616791
2-amino-1,7-dihydropurin-6-one;dihydrochloride
CID 140978979
2-amino-1,7-dihydropurin-6-one;methoxymethane
CID 170791174
2-amino-1,7-dihydropurin-6-one;copper;dihydrate
CID 139263394
magnesium;2-amino-1,7-dihydropurin-6-one;dichloride
CID 174866452
bis(2-amino-1,7-dihydropurin-6-one);trihydrate;dihydroiodide
CID 135724792

Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-1,7-dihydropurin-6-one;7H-purin-6-amine?
The IUPAC name of methane;2-methyl-1,7-dihydropurin-6-one;7H-purin-6-amine (CID 159357752) is methane;2-methyl-1,7-dihydropurin-6-one;7H-purin-6-amine.
What is the SMILES notation for methane;2-methyl-1,7-dihydropurin-6-one;7H-purin-6-amine?
The canonical SMILES for methane;2-methyl-1,7-dihydropurin-6-one;7H-purin-6-amine is C.C.Cc1nc2nc[nH]c2c(=O)[nH]1.Nc1ncnc2nc[nH]c12.
What is the InChIKey of methane;2-methyl-1,7-dihydropurin-6-one;7H-purin-6-amine?
The InChIKey is LIDGQIIDPFKUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O.C5H5N5.2CH4/c1-3-9-5-4(6(11)10-3)7-2-8-5;6-4-3-5(9-1-7-3)10-2-8-4;;/h2H,1H3,(H2,7,8,9,10,11);1-2H,(H3,6,7,8,9,10);2*1H4.
What are the key properties of methane;2-methyl-1,7-dihydropurin-6-one;7H-purin-6-amine?
methane;2-methyl-1,7-dihydropurin-6-one;7H-purin-6-amine has a molecular weight of 317.36 g/mol, XLogP of 1.16, 0 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyl-1,7-dihydropurin-6-one;7H-purin-6-amine is sourced from PubChem (CID 159357752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).