9-[2-(2,2-dimethylpropylamino)ethyl]-8-methylpurin-6-amine

C13H22N6 — CID 142463295

IUPAC9-[2-(2,2-dimethylpropylamino)ethyl]-8-methylpurin-6-amine
SMILESCc1nc2c(N)ncnc2n1CCNCC(C)(C)C
InChIInChI=1S/C13H22N6/c1-9-18-10-11(14)16-8-17-12(10)19(9)6-5-15-7-13(2,3)4/h8,15H,5-7H2,1-4H3,(H2,14,16,17)
InChIKeyKNFBRKDYCCHABA-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.35
Rot. Bonds4

About 9-[2-(2,2-dimethylpropylamino)ethyl]-8-methylpurin-6-amine

9-[2-(2,2-dimethylpropylamino)ethyl]-8-methylpurin-6-amine (PubChem CID 142463295) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 9-[2-(2,2-dimethylpropylamino)ethyl]-8-methylpurin-6-amine.

Molecular Properties

Compound Name9-[2-(2,2-dimethylpropylamino)ethyl]-8-methylpurin-6-amine
PubChem CID142463295
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name9-[2-(2,2-dimethylpropylamino)ethyl]-8-methylpurin-6-amine
SMILESCc1nc2c(N)ncnc2n1CCNCC(C)(C)C
InChIInChI=1S/C13H22N6/c1-9-18-10-11(14)16-8-17-12(10)19(9)6-5-15-7-13(2,3)4/h8,15H,5-7H2,1-4H3,(H2,14,16,17)
InChIKeyKNFBRKDYCCHABA-UHFFFAOYSA-N
XLogP1.35
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9-(4-aminobutyl)-8-methylpurin-6-amine
CID 154682706
9-[2-(2,2-dimethylpropylamino)ethyl]-8-[5-methoxy-2-(5-methylfuran-2-yl)phenyl]sulfanylpurin-6-amine
CID 122667961
9-[2-(2,2-dimethylpropylamino)ethyl]-8-[[5-(furan-2-yl)-1,3-benzothiazol-6-yl]sulfanyl]purin-6-amine
CID 67115828
9-[2-(2,2-dimethylpropylamino)ethyl]-8-[[6-(1H-pyrazol-5-yl)-1,2,3-benzoxadiazol-5-yl]sulfanyl]purin-6-amine
CID 122667959
2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
CID 61493565
8-bromo-9-propylpurin-6-amine
CID 11849871
8-bromo-9-pent-3-ynylpurin-6-amine
CID 143496322
8-bromo-9-butylpurin-6-amine
CID 11608719
(2R,3R,4S,5R)-2-(6-amino-8-methylpurin-9-yl)-5-[[2-(methylamino)ethylamino]methyl]oxolane-3,4-diol
CID 25233766
6-[6-amino-9-[2-(2-methylpropylamino)ethyl]purin-8-yl]sulfanyl-5-iodo-2,3-dihydroindene-1-thione
CID 122668054
9-[2-(methoxymethylamino)ethyl]purin-6-amine
CID 67932489
8-bromo-9-methylpurin-6-amine
CID 822296

Frequently Asked Questions

What is the IUPAC name of 9-[2-(2,2-dimethylpropylamino)ethyl]-8-methylpurin-6-amine?
The IUPAC name of 9-[2-(2,2-dimethylpropylamino)ethyl]-8-methylpurin-6-amine (CID 142463295) is 9-[2-(2,2-dimethylpropylamino)ethyl]-8-methylpurin-6-amine.
What is the SMILES notation for 9-[2-(2,2-dimethylpropylamino)ethyl]-8-methylpurin-6-amine?
The canonical SMILES for 9-[2-(2,2-dimethylpropylamino)ethyl]-8-methylpurin-6-amine is Cc1nc2c(N)ncnc2n1CCNCC(C)(C)C.
What is the InChIKey of 9-[2-(2,2-dimethylpropylamino)ethyl]-8-methylpurin-6-amine?
The InChIKey is KNFBRKDYCCHABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-9-18-10-11(14)16-8-17-12(10)19(9)6-5-15-7-13(2,3)4/h8,15H,5-7H2,1-4H3,(H2,14,16,17).
What are the key properties of 9-[2-(2,2-dimethylpropylamino)ethyl]-8-methylpurin-6-amine?
9-[2-(2,2-dimethylpropylamino)ethyl]-8-methylpurin-6-amine has a molecular weight of 262.36 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2,2-dimethylpropylamino)ethyl]-8-methylpurin-6-amine is sourced from PubChem (CID 142463295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).