8-(5-amino-3,3-dimethylpentyl)-7H-purin-6-amine

C12H20N6 — CID 114608052

IUPAC8-(5-amino-3,3-dimethylpentyl)-7H-purin-6-amine
SMILESCC(C)(CCN)CCc1nc2ncnc(N)c2[nH]1
InChIInChI=1S/C12H20N6/c1-12(2,5-6-13)4-3-8-17-9-10(14)15-7-16-11(9)18-8/h7H,3-6,13H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyLQRQQXVPMCTUAO-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.24
Rot. Bonds5

About 8-(5-amino-3,3-dimethylpentyl)-7H-purin-6-amine

8-(5-amino-3,3-dimethylpentyl)-7H-purin-6-amine (PubChem CID 114608052) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 8-(5-amino-3,3-dimethylpentyl)-7H-purin-6-amine.

Molecular Properties

Compound Name8-(5-amino-3,3-dimethylpentyl)-7H-purin-6-amine
PubChem CID114608052
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name8-(5-amino-3,3-dimethylpentyl)-7H-purin-6-amine
SMILESCC(C)(CCN)CCc1nc2ncnc(N)c2[nH]1
InChIInChI=1S/C12H20N6/c1-12(2,5-6-13)4-3-8-17-9-10(14)15-7-16-11(9)18-8/h7H,3-6,13H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyLQRQQXVPMCTUAO-UHFFFAOYSA-N
XLogP1.24
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-3-(6-amino-7H-purin-8-yl)-2-methylpropan-2-ol
CID 114607937
8-(3-methylbut-3-enyl)-7H-purin-6-amine
CID 155026179
8-(3-ethoxypropyl)-7H-purin-6-amine
CID 114608170
8-(4-phenylbutyl)-7H-purin-6-amine
CID 4019685
8-benzyl-7H-purin-6-amine;ethane
CID 144791619
3-(6-amino-7H-purin-8-yl)-1,1,1-trifluoropropan-2-one
CID 114608424
8-N,8-N-dimethyl-7H-purine-6,8-diamine
CID 776561
8-[(cyclopropylmethylamino)methyl]-7H-purin-6-amine
CID 114608013
7H-purine-6,8-diamine;dihydrochloride
CID 45264504
8-N-[5-(methylamino)pentyl]-7H-purine-6,8-diamine
CID 163785679
2-[(6-amino-7H-purin-8-yl)amino]ethanol;hydrobromide
CID 75485495
8-(trifluoromethyl)-7H-purin-6-amine
CID 3635406

Frequently Asked Questions

What is the IUPAC name of 8-(5-amino-3,3-dimethylpentyl)-7H-purin-6-amine?
The IUPAC name of 8-(5-amino-3,3-dimethylpentyl)-7H-purin-6-amine (CID 114608052) is 8-(5-amino-3,3-dimethylpentyl)-7H-purin-6-amine.
What is the SMILES notation for 8-(5-amino-3,3-dimethylpentyl)-7H-purin-6-amine?
The canonical SMILES for 8-(5-amino-3,3-dimethylpentyl)-7H-purin-6-amine is CC(C)(CCN)CCc1nc2ncnc(N)c2[nH]1.
What is the InChIKey of 8-(5-amino-3,3-dimethylpentyl)-7H-purin-6-amine?
The InChIKey is LQRQQXVPMCTUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-12(2,5-6-13)4-3-8-17-9-10(14)15-7-16-11(9)18-8/h7H,3-6,13H2,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 8-(5-amino-3,3-dimethylpentyl)-7H-purin-6-amine?
8-(5-amino-3,3-dimethylpentyl)-7H-purin-6-amine has a molecular weight of 248.33 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-amino-3,3-dimethylpentyl)-7H-purin-6-amine is sourced from PubChem (CID 114608052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).