6-N-(2-methylpropyl)-6-N-propan-2-yl-2-N-propyl-7H-purine-2,6-diamine

C15H26N6 — CID 114784631

IUPAC6-N-(2-methylpropyl)-6-N-propan-2-yl-2-N-propyl-7H-purine-2,6-diamine
SMILESCCCNc1nc(N(CC(C)C)C(C)C)c2[nH]cnc2n1
InChIInChI=1S/C15H26N6/c1-6-7-16-15-19-13-12(17-9-18-13)14(20-15)21(11(4)5)8-10(2)3/h9-11H,6-8H2,1-5H3,(H2,16,17,18,19,20)
InChIKeyBARKBAHCNFVOGF-UHFFFAOYSA-N
MW290.42 g/mol
LogP3.05
Rot. Bonds7

About 6-N-(2-methylpropyl)-6-N-propan-2-yl-2-N-propyl-7H-purine-2,6-diamine

6-N-(2-methylpropyl)-6-N-propan-2-yl-2-N-propyl-7H-purine-2,6-diamine (PubChem CID 114784631) has the molecular formula C15H26N6 and a molecular weight of 290.42 g/mol. Its IUPAC name is 6-N-(2-methylpropyl)-6-N-propan-2-yl-2-N-propyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-methylpropyl)-6-N-propan-2-yl-2-N-propyl-7H-purine-2,6-diamine
PubChem CID114784631
Molecular FormulaC15H26N6
Molecular Weight290.42 g/mol
Exact Mass290.22
IUPAC Name6-N-(2-methylpropyl)-6-N-propan-2-yl-2-N-propyl-7H-purine-2,6-diamine
SMILESCCCNc1nc(N(CC(C)C)C(C)C)c2[nH]cnc2n1
InChIInChI=1S/C15H26N6/c1-6-7-16-15-19-13-12(17-9-18-13)14(20-15)21(11(4)5)8-10(2)3/h9-11H,6-8H2,1-5H3,(H2,16,17,18,19,20)
InChIKeyBARKBAHCNFVOGF-UHFFFAOYSA-N
XLogP3.05
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-ethyl-6-N-(1-methoxypropan-2-yl)-2-N-propyl-7H-purine-2,6-diamine
CID 114784714
6-N-methyl-6-N-(2-methylbutyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783815
6-propan-2-yloxy-N-propyl-7H-purin-2-amine
CID 114786891
6-N-(cyclopropylmethyl)-6-N-methyl-2-N-propyl-7H-purine-2,6-diamine
CID 114784058
2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
6-N-methyl-6-N-(2-methylsulfanylethyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114786012
1-[[2-(propylamino)-7H-purin-6-yl]amino]propan-2-ol
CID 114783868
6-N-(2,2-dimethylpropyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114784070
6-N-(2-methylbutan-2-yl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783401
2-chloro-N-ethyl-N-propan-2-yl-7H-purin-6-amine
CID 104787141
6-N,6-N-dibutyl-2-N-ethyl-7H-purine-2,6-diamine
CID 114783314
6-N-cyclopropyl-2-N-ethyl-6-N-methyl-7H-purine-2,6-diamine
CID 114783774

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-methylpropyl)-6-N-propan-2-yl-2-N-propyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(2-methylpropyl)-6-N-propan-2-yl-2-N-propyl-7H-purine-2,6-diamine (CID 114784631) is 6-N-(2-methylpropyl)-6-N-propan-2-yl-2-N-propyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(2-methylpropyl)-6-N-propan-2-yl-2-N-propyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(2-methylpropyl)-6-N-propan-2-yl-2-N-propyl-7H-purine-2,6-diamine is CCCNc1nc(N(CC(C)C)C(C)C)c2[nH]cnc2n1.
What is the InChIKey of 6-N-(2-methylpropyl)-6-N-propan-2-yl-2-N-propyl-7H-purine-2,6-diamine?
The InChIKey is BARKBAHCNFVOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-6-7-16-15-19-13-12(17-9-18-13)14(20-15)21(11(4)5)8-10(2)3/h9-11H,6-8H2,1-5H3,(H2,16,17,18,19,20).
What are the key properties of 6-N-(2-methylpropyl)-6-N-propan-2-yl-2-N-propyl-7H-purine-2,6-diamine?
6-N-(2-methylpropyl)-6-N-propan-2-yl-2-N-propyl-7H-purine-2,6-diamine has a molecular weight of 290.42 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-methylpropyl)-6-N-propan-2-yl-2-N-propyl-7H-purine-2,6-diamine is sourced from PubChem (CID 114784631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).