2-N-butyl-2-N-methyl-5H-purine-2,6-diamine

C10H16N6 — CID 53437660

IUPAC2-N-butyl-2-N-methyl-5H-purine-2,6-diamine
SMILESCCCCN(C)C1=NC2=NC=NC2C(N)=N1
InChIInChI=1S/C10H16N6/c1-3-4-5-16(2)10-14-8(11)7-9(15-10)13-6-12-7/h6-7H,3-5H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyVWLNHPLDXZLXCN-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.25
Rot. Bonds3

About 2-N-butyl-2-N-methyl-5H-purine-2,6-diamine

2-N-butyl-2-N-methyl-5H-purine-2,6-diamine (PubChem CID 53437660) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-N-butyl-2-N-methyl-5H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-butyl-2-N-methyl-5H-purine-2,6-diamine
PubChem CID53437660
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name2-N-butyl-2-N-methyl-5H-purine-2,6-diamine
SMILESCCCCN(C)C1=NC2=NC=NC2C(N)=N1
InChIInChI=1S/C10H16N6/c1-3-4-5-16(2)10-14-8(11)7-9(15-10)13-6-12-7/h6-7H,3-5H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyVWLNHPLDXZLXCN-UHFFFAOYSA-N
XLogP0.25
TPSA78.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-2-N-methyl-5H-purine-2,6-diamine?
The IUPAC name of 2-N-butyl-2-N-methyl-5H-purine-2,6-diamine (CID 53437660) is 2-N-butyl-2-N-methyl-5H-purine-2,6-diamine.
What is the SMILES notation for 2-N-butyl-2-N-methyl-5H-purine-2,6-diamine?
The canonical SMILES for 2-N-butyl-2-N-methyl-5H-purine-2,6-diamine is CCCCN(C)C1=NC2=NC=NC2C(N)=N1.
What is the InChIKey of 2-N-butyl-2-N-methyl-5H-purine-2,6-diamine?
The InChIKey is VWLNHPLDXZLXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-3-4-5-16(2)10-14-8(11)7-9(15-10)13-6-12-7/h6-7H,3-5H2,1-2H3,(H2,11,12,13,14,15).
What are the key properties of 2-N-butyl-2-N-methyl-5H-purine-2,6-diamine?
2-N-butyl-2-N-methyl-5H-purine-2,6-diamine has a molecular weight of 220.28 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-2-N-methyl-5H-purine-2,6-diamine is sourced from PubChem (CID 53437660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).