2-(3-methylbutyl)-7H-purine-6,8-diamine

C10H16N6 — CID 174749238

IUPAC2-(3-methylbutyl)-7H-purine-6,8-diamine
SMILESCC(C)CCc1nc(N)c2[nH]c(N)nc2n1
InChIInChI=1S/C10H16N6/c1-5(2)3-4-6-13-8(11)7-9(14-6)16-10(12)15-7/h5H,3-4H2,1-2H3,(H5,11,12,13,14,15,16)
InChIKeyLRXFTWJZVGWGNG-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.11
Rot. Bonds3

About 2-(3-methylbutyl)-7H-purine-6,8-diamine

2-(3-methylbutyl)-7H-purine-6,8-diamine (PubChem CID 174749238) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-(3-methylbutyl)-7H-purine-6,8-diamine.

Molecular Properties

Compound Name2-(3-methylbutyl)-7H-purine-6,8-diamine
PubChem CID174749238
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name2-(3-methylbutyl)-7H-purine-6,8-diamine
SMILESCC(C)CCc1nc(N)c2[nH]c(N)nc2n1
InChIInChI=1S/C10H16N6/c1-5(2)3-4-6-13-8(11)7-9(14-6)16-10(12)15-7/h5H,3-4H2,1-2H3,(H5,11,12,13,14,15,16)
InChIKeyLRXFTWJZVGWGNG-UHFFFAOYSA-N
XLogP1.11
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)-7H-purine-6,8-diamine?
The IUPAC name of 2-(3-methylbutyl)-7H-purine-6,8-diamine (CID 174749238) is 2-(3-methylbutyl)-7H-purine-6,8-diamine.
What is the SMILES notation for 2-(3-methylbutyl)-7H-purine-6,8-diamine?
The canonical SMILES for 2-(3-methylbutyl)-7H-purine-6,8-diamine is CC(C)CCc1nc(N)c2[nH]c(N)nc2n1.
What is the InChIKey of 2-(3-methylbutyl)-7H-purine-6,8-diamine?
The InChIKey is LRXFTWJZVGWGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-5(2)3-4-6-13-8(11)7-9(14-6)16-10(12)15-7/h5H,3-4H2,1-2H3,(H5,11,12,13,14,15,16).
What are the key properties of 2-(3-methylbutyl)-7H-purine-6,8-diamine?
2-(3-methylbutyl)-7H-purine-6,8-diamine has a molecular weight of 220.28 g/mol, XLogP of 1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-7H-purine-6,8-diamine is sourced from PubChem (CID 174749238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).