9-[amino(methylamino)methyl]-1H-purin-6-one

C7H10N6O — CID 146555872

IUPAC9-[amino(methylamino)methyl]-1H-purin-6-one
SMILESCNC(N)n1cnc2c(=O)[nH]cnc21
InChIInChI=1S/C7H10N6O/c1-9-7(8)13-3-12-4-5(13)10-2-11-6(4)14/h2-3,7,9H,8H2,1H3,(H,10,11,14)
InChIKeyNWRBMGDFZHIEKA-UHFFFAOYSA-N
MW194.20 g/mol
LogP-1.25
Rot. Bonds2

About 9-[amino(methylamino)methyl]-1H-purin-6-one

9-[amino(methylamino)methyl]-1H-purin-6-one (PubChem CID 146555872) has the molecular formula C7H10N6O and a molecular weight of 194.20 g/mol. Its IUPAC name is 9-[amino(methylamino)methyl]-1H-purin-6-one.

Molecular Properties

Compound Name9-[amino(methylamino)methyl]-1H-purin-6-one
PubChem CID146555872
Molecular FormulaC7H10N6O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name9-[amino(methylamino)methyl]-1H-purin-6-one
SMILESCNC(N)n1cnc2c(=O)[nH]cnc21
InChIInChI=1S/C7H10N6O/c1-9-7(8)13-3-12-4-5(13)10-2-11-6(4)14/h2-3,7,9H,8H2,1H3,(H,10,11,14)
InChIKeyNWRBMGDFZHIEKA-UHFFFAOYSA-N
XLogP-1.25
TPSA101.62 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 ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethane;9-propan-2-yl-1H-purin-6-one
CID 162724389
9-(3,4-dihydroxybutan-2-yl)-1H-purin-6-one
CID 136653530
9-methylphosphanyl-1H-purin-6-one
CID 168960021
9-ethyl-1H-purin-6-one
CID 135421831
9-[1-(3-hydroxyphenyl)ethyl]-1H-purin-6-one
CID 135987617
9-(4-amino-3-methylphenyl)-1H-purin-6-one
CID 135454051
2,6-dimethyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;9-propan-2-yl-1H-purin-6-one
CID 159981042
9-(2-chloroethyl)-1H-purin-6-one
CID 135408661
9-(4-hydroxybut-2-ynyl)-1H-purin-6-one
CID 136676253
[difluoro-[(1S,2S)-2-[(1S)-1-(6-oxo-1H-purin-9-yl)ethyl]cyclopropyl]methyl] dimethyl phosphate
CID 136870077
9-(4-methoxyphenyl)-1H-purin-6-one
CID 135491131
9-(5-methylfuran-2-yl)-1H-purin-6-one
CID 137208137

Frequently Asked Questions

What is the IUPAC name of 9-[amino(methylamino)methyl]-1H-purin-6-one?
The IUPAC name of 9-[amino(methylamino)methyl]-1H-purin-6-one (CID 146555872) is 9-[amino(methylamino)methyl]-1H-purin-6-one.
What is the SMILES notation for 9-[amino(methylamino)methyl]-1H-purin-6-one?
The canonical SMILES for 9-[amino(methylamino)methyl]-1H-purin-6-one is CNC(N)n1cnc2c(=O)[nH]cnc21.
What is the InChIKey of 9-[amino(methylamino)methyl]-1H-purin-6-one?
The InChIKey is NWRBMGDFZHIEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O/c1-9-7(8)13-3-12-4-5(13)10-2-11-6(4)14/h2-3,7,9H,8H2,1H3,(H,10,11,14).
What are the key properties of 9-[amino(methylamino)methyl]-1H-purin-6-one?
9-[amino(methylamino)methyl]-1H-purin-6-one has a molecular weight of 194.20 g/mol, XLogP of -1.25, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[amino(methylamino)methyl]-1H-purin-6-one is sourced from PubChem (CID 146555872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).