2-butylimino-N,N-dimethyl-3,5-dihydropurin-6-amine

C11H18N6 — CID 135754500

IUPAC2-butylimino-N,N-dimethyl-3,5-dihydropurin-6-amine
SMILESCCCC/N=C1\N=C(N(C)C)C2N=CN=C2N1
InChIInChI=1S/C11H18N6/c1-4-5-6-12-11-15-9-8(13-7-14-9)10(16-11)17(2)3/h7-8H,4-6H2,1-3H3,(H,12,13,14,15)
InChIKeyPCDJUCCULQCCAC-UHFFFAOYSA-N
MW234.31 g/mol
LogP0.51
Rot. Bonds3

About 2-butylimino-N,N-dimethyl-3,5-dihydropurin-6-amine

2-butylimino-N,N-dimethyl-3,5-dihydropurin-6-amine (PubChem CID 135754500) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is 2-butylimino-N,N-dimethyl-3,5-dihydropurin-6-amine.

Molecular Properties

Compound Name2-butylimino-N,N-dimethyl-3,5-dihydropurin-6-amine
PubChem CID135754500
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name2-butylimino-N,N-dimethyl-3,5-dihydropurin-6-amine
SMILESCCCC/N=C1\N=C(N(C)C)C2N=CN=C2N1
InChIInChI=1S/C11H18N6/c1-4-5-6-12-11-15-9-8(13-7-14-9)10(16-11)17(2)3/h7-8H,4-6H2,1-3H3,(H,12,13,14,15)
InChIKeyPCDJUCCULQCCAC-UHFFFAOYSA-N
XLogP0.51
TPSA64.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butylimino-N,N-dimethyl-3,5-dihydropurin-6-amine?
The IUPAC name of 2-butylimino-N,N-dimethyl-3,5-dihydropurin-6-amine (CID 135754500) is 2-butylimino-N,N-dimethyl-3,5-dihydropurin-6-amine.
What is the SMILES notation for 2-butylimino-N,N-dimethyl-3,5-dihydropurin-6-amine?
The canonical SMILES for 2-butylimino-N,N-dimethyl-3,5-dihydropurin-6-amine is CCCC/N=C1\N=C(N(C)C)C2N=CN=C2N1.
What is the InChIKey of 2-butylimino-N,N-dimethyl-3,5-dihydropurin-6-amine?
The InChIKey is PCDJUCCULQCCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-4-5-6-12-11-15-9-8(13-7-14-9)10(16-11)17(2)3/h7-8H,4-6H2,1-3H3,(H,12,13,14,15).
What are the key properties of 2-butylimino-N,N-dimethyl-3,5-dihydropurin-6-amine?
2-butylimino-N,N-dimethyl-3,5-dihydropurin-6-amine has a molecular weight of 234.31 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylimino-N,N-dimethyl-3,5-dihydropurin-6-amine is sourced from PubChem (CID 135754500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).