2-amino-8-(2-amino-4,4-dimethylpentyl)-1,7-dihydropurin-6-one

C12H20N6O — CID 136952842

IUPAC2-amino-8-(2-amino-4,4-dimethylpentyl)-1,7-dihydropurin-6-one
SMILESCC(C)(C)CC(N)Cc1nc2nc(N)[nH]c(=O)c2[nH]1
InChIInChI=1S/C12H20N6O/c1-12(2,3)5-6(13)4-7-15-8-9(16-7)17-11(14)18-10(8)19/h6H,4-5,13H2,1-3H3,(H4,14,15,16,17,18,19)
InChIKeyYAKZMJJWYQZHEB-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.53
Rot. Bonds3

About 2-amino-8-(2-amino-4,4-dimethylpentyl)-1,7-dihydropurin-6-one

2-amino-8-(2-amino-4,4-dimethylpentyl)-1,7-dihydropurin-6-one (PubChem CID 136952842) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-amino-8-(2-amino-4,4-dimethylpentyl)-1,7-dihydropurin-6-one.

Molecular Properties

Compound Name2-amino-8-(2-amino-4,4-dimethylpentyl)-1,7-dihydropurin-6-one
PubChem CID136952842
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name2-amino-8-(2-amino-4,4-dimethylpentyl)-1,7-dihydropurin-6-one
SMILESCC(C)(C)CC(N)Cc1nc2nc(N)[nH]c(=O)c2[nH]1
InChIInChI=1S/C12H20N6O/c1-12(2,3)5-6(13)4-7-15-8-9(16-7)17-11(14)18-10(8)19/h6H,4-5,13H2,1-3H3,(H4,14,15,16,17,18,19)
InChIKeyYAKZMJJWYQZHEB-UHFFFAOYSA-N
XLogP0.53
TPSA126.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-8-(2-methoxy-2-methylpropyl)-1,7-dihydropurin-6-one
CID 136680651
8-ethyl-2-(tritioamino)-1,7-dihydropurin-6-one
CID 136659280
2-amino-8-[(5-methylsulfinylthiophen-2-yl)methyl]-1,7-dihydropurin-6-one
CID 135980779
2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N,N-dimethylacetamide
CID 137225021
2-amino-8-[2-(2-oxopyrrolidin-1-yl)ethylsulfanyl]-1,7-dihydropurin-6-one
CID 137225019
2-amino-8-azido-1,7-dihydropurin-6-one
CID 135406871
(2-amino-6-oxo-1,7-dihydropurin-8-yl) thiocyanate
CID 135742599
2,5-diamino-4-[(2S)-2-aminopentyl]-1H-pyrimidin-6-one
CID 136694596
2-amino-8-(3-fluoro-5-methylphenyl)-1,7-dihydropurin-6-one
CID 136843668
2-amino-8-[(E)-bis(2-chloroethyl)aminodiazenyl]-1,7-dihydropurin-6-one
CID 135580215
2-amino-1,7-dihydropurin-6-one;methoxymethane
CID 170791174
2-amino-9-(2,4,4-trimethylpentyl)-1H-purin-6-one
CID 174181747

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(2-amino-4,4-dimethylpentyl)-1,7-dihydropurin-6-one?
The IUPAC name of 2-amino-8-(2-amino-4,4-dimethylpentyl)-1,7-dihydropurin-6-one (CID 136952842) is 2-amino-8-(2-amino-4,4-dimethylpentyl)-1,7-dihydropurin-6-one.
What is the SMILES notation for 2-amino-8-(2-amino-4,4-dimethylpentyl)-1,7-dihydropurin-6-one?
The canonical SMILES for 2-amino-8-(2-amino-4,4-dimethylpentyl)-1,7-dihydropurin-6-one is CC(C)(C)CC(N)Cc1nc2nc(N)[nH]c(=O)c2[nH]1.
What is the InChIKey of 2-amino-8-(2-amino-4,4-dimethylpentyl)-1,7-dihydropurin-6-one?
The InChIKey is YAKZMJJWYQZHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-12(2,3)5-6(13)4-7-15-8-9(16-7)17-11(14)18-10(8)19/h6H,4-5,13H2,1-3H3,(H4,14,15,16,17,18,19).
What are the key properties of 2-amino-8-(2-amino-4,4-dimethylpentyl)-1,7-dihydropurin-6-one?
2-amino-8-(2-amino-4,4-dimethylpentyl)-1,7-dihydropurin-6-one has a molecular weight of 264.33 g/mol, XLogP of 0.53, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-(2-amino-4,4-dimethylpentyl)-1,7-dihydropurin-6-one is sourced from PubChem (CID 136952842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).