8-(1-amino-4-methylpentan-2-yl)-7H-purin-6-amine

C11H18N6 — CID 114607908

IUPAC8-(1-amino-4-methylpentan-2-yl)-7H-purin-6-amine
SMILESCC(C)CC(CN)c1nc2ncnc(N)c2[nH]1
InChIInChI=1S/C11H18N6/c1-6(2)3-7(4-12)10-16-8-9(13)14-5-15-11(8)17-10/h5-7H,3-4,12H2,1-2H3,(H3,13,14,15,16,17)
InChIKeyAQIPJGIDVLDKSH-UHFFFAOYSA-N
MW234.31 g/mol
LogP1.02
Rot. Bonds4

About 8-(1-amino-4-methylpentan-2-yl)-7H-purin-6-amine

8-(1-amino-4-methylpentan-2-yl)-7H-purin-6-amine (PubChem CID 114607908) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is 8-(1-amino-4-methylpentan-2-yl)-7H-purin-6-amine.

Molecular Properties

Compound Name8-(1-amino-4-methylpentan-2-yl)-7H-purin-6-amine
PubChem CID114607908
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name8-(1-amino-4-methylpentan-2-yl)-7H-purin-6-amine
SMILESCC(C)CC(CN)c1nc2ncnc(N)c2[nH]1
InChIInChI=1S/C11H18N6/c1-6(2)3-7(4-12)10-16-8-9(13)14-5-15-11(8)17-10/h5-7H,3-4,12H2,1-2H3,(H3,13,14,15,16,17)
InChIKeyAQIPJGIDVLDKSH-UHFFFAOYSA-N
XLogP1.02
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

8-(2-amino-1-methoxyethyl)-7H-purin-6-amine
CID 106108785
8-(1-aminopropyl)-7H-purin-6-amine
CID 114607892
7H-purine-6,8-diamine;dihydrochloride
CID 45264504
8-[amino(thiophen-2-yl)methyl]-7H-purin-6-amine
CID 114607939
8-methylsulfanyl-7H-purin-6-amine
CID 935524
8-N,8-N-dimethyl-7H-purine-6,8-diamine
CID 776561
ethane;2-methylbutan-1-amine;7H-purin-6-amine
CID 144555996
1-amino-3-(6-amino-7H-purin-8-yl)-2-methylpropan-2-ol
CID 114607937
8-N-(1-aminoprop-2-enyl)-7H-purine-6,8-diamine
CID 70041180
2-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methylpentan-1-amine
CID 81449342
8-(5-amino-3,3-dimethylpentyl)-7H-purin-6-amine
CID 114608052
8-(trifluoromethyl)-7H-purin-6-amine
CID 3635406

Frequently Asked Questions

What is the IUPAC name of 8-(1-amino-4-methylpentan-2-yl)-7H-purin-6-amine?
The IUPAC name of 8-(1-amino-4-methylpentan-2-yl)-7H-purin-6-amine (CID 114607908) is 8-(1-amino-4-methylpentan-2-yl)-7H-purin-6-amine.
What is the SMILES notation for 8-(1-amino-4-methylpentan-2-yl)-7H-purin-6-amine?
The canonical SMILES for 8-(1-amino-4-methylpentan-2-yl)-7H-purin-6-amine is CC(C)CC(CN)c1nc2ncnc(N)c2[nH]1.
What is the InChIKey of 8-(1-amino-4-methylpentan-2-yl)-7H-purin-6-amine?
The InChIKey is AQIPJGIDVLDKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-6(2)3-7(4-12)10-16-8-9(13)14-5-15-11(8)17-10/h5-7H,3-4,12H2,1-2H3,(H3,13,14,15,16,17).
What are the key properties of 8-(1-amino-4-methylpentan-2-yl)-7H-purin-6-amine?
8-(1-amino-4-methylpentan-2-yl)-7H-purin-6-amine has a molecular weight of 234.31 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-amino-4-methylpentan-2-yl)-7H-purin-6-amine is sourced from PubChem (CID 114607908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).