N-butyl-2,9-dimethylpurin-8-amine

C11H17N5 — CID 171384557

IUPACN-butyl-2,9-dimethylpurin-8-amine
SMILESCCCCNc1nc2cnc(C)nc2n1C
InChIInChI=1S/C11H17N5/c1-4-5-6-12-11-15-9-7-13-8(2)14-10(9)16(11)3/h7H,4-6H2,1-3H3,(H,12,15)
InChIKeyNLJYRBBAGNJCRN-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.88
Rot. Bonds4

About N-butyl-2,9-dimethylpurin-8-amine

N-butyl-2,9-dimethylpurin-8-amine (PubChem CID 171384557) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is N-butyl-2,9-dimethylpurin-8-amine.

Molecular Properties

Compound NameN-butyl-2,9-dimethylpurin-8-amine
PubChem CID171384557
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC NameN-butyl-2,9-dimethylpurin-8-amine
SMILESCCCCNc1nc2cnc(C)nc2n1C
InChIInChI=1S/C11H17N5/c1-4-5-6-12-11-15-9-7-13-8(2)14-10(9)16(11)3/h7H,4-6H2,1-3H3,(H,12,15)
InChIKeyNLJYRBBAGNJCRN-UHFFFAOYSA-N
XLogP1.88
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 62785690
4-N,5-N-dibutyl-2-methylpyrimidine-4,5-diamine
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2-(butylamino)-1-methylquinazolin-4-one
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N-(4-chlorobutyl)-1-methylbenzimidazol-2-amine
CID 106845045
1-(3-bromo-4-fluorophenyl)-N-butyl-4-methylimidazol-2-amine
CID 106581546
N-butyl-1-hexylimidazol-2-amine
CID 106573794
N-butyl-6-ethoxy-2-methylpyrimidin-4-amine
CID 66327506
N-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine
CID 106557291
N-butyl-1-(2,5-difluoro-4-methylphenyl)-4-methylimidazol-2-amine
CID 106583625
1-(2-bromo-4-methylphenyl)-N-butyl-4-methylimidazol-2-amine
CID 106555636
1-butyl-4-methyl-N-octylimidazol-2-amine
CID 106578853

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,9-dimethylpurin-8-amine?
The IUPAC name of N-butyl-2,9-dimethylpurin-8-amine (CID 171384557) is N-butyl-2,9-dimethylpurin-8-amine.
What is the SMILES notation for N-butyl-2,9-dimethylpurin-8-amine?
The canonical SMILES for N-butyl-2,9-dimethylpurin-8-amine is CCCCNc1nc2cnc(C)nc2n1C.
What is the InChIKey of N-butyl-2,9-dimethylpurin-8-amine?
The InChIKey is NLJYRBBAGNJCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-4-5-6-12-11-15-9-7-13-8(2)14-10(9)16(11)3/h7H,4-6H2,1-3H3,(H,12,15).
What are the key properties of N-butyl-2,9-dimethylpurin-8-amine?
N-butyl-2,9-dimethylpurin-8-amine has a molecular weight of 219.29 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,9-dimethylpurin-8-amine is sourced from PubChem (CID 171384557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).