9-benzyl-2-N-propylpurine-2,6-diamine

C15H18N6 — CID 18332707

IUPAC9-benzyl-2-N-propylpurine-2,6-diamine
SMILESCCCNc1nc(N)c2ncn(Cc3ccccc3)c2n1
InChIInChI=1S/C15H18N6/c1-2-8-17-15-19-13(16)12-14(20-15)21(10-18-12)9-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H3,16,17,19,20)
InChIKeyGABDUVZFBGKVQY-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.28
Rot. Bonds5

About 9-benzyl-2-N-propylpurine-2,6-diamine

9-benzyl-2-N-propylpurine-2,6-diamine (PubChem CID 18332707) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 9-benzyl-2-N-propylpurine-2,6-diamine.

Molecular Properties

Compound Name9-benzyl-2-N-propylpurine-2,6-diamine
PubChem CID18332707
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name9-benzyl-2-N-propylpurine-2,6-diamine
SMILESCCCNc1nc(N)c2ncn(Cc3ccccc3)c2n1
InChIInChI=1S/C15H18N6/c1-2-8-17-15-19-13(16)12-14(20-15)21(10-18-12)9-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H3,16,17,19,20)
InChIKeyGABDUVZFBGKVQY-UHFFFAOYSA-N
XLogP2.28
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

9-benzyl-2-N-(2-phenylethyl)purine-2,6-diamine
CID 18332703
9-benzyl-2-N-phenylpurine-2,6-diamine
CID 18332798
9-benzyl-2-N-butan-2-ylpurine-2,6-diamine
CID 18332812
[3-[[6-amino-2-(butylamino)purin-9-yl]methyl]phenyl]methyl-methyl-oxophosphanium
CID 71133718
methyl 2-[3-[[6-amino-2-(butylamino)purin-9-yl]methyl]phenyl]acetate
CID 160871672
2-N-benzyl-9-prop-2-ynylpurine-2,6-diamine
CID 140535355
methyl 4-[[6-amino-2-(ethylamino)purin-9-yl]methyl]benzoate
CID 138700928
9-ethyl-2-N-[2-(2-fluorophenyl)ethyl]purine-2,6-diamine
CID 18440348
9-benzyl-2-(4-methylphenyl)sulfanylpurin-6-amine
CID 18332690
9-benzyl-8-bromo-2-N-pentylpurine-2,6-diamine
CID 18332813
3-(6-amino-9-benzylpurin-2-yl)oxypropan-1-ol
CID 18332714
2-N-[4-(trifluoromethyl)phenyl]-9-[[4-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine
CID 117091514

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-2-N-propylpurine-2,6-diamine?
The IUPAC name of 9-benzyl-2-N-propylpurine-2,6-diamine (CID 18332707) is 9-benzyl-2-N-propylpurine-2,6-diamine.
What is the SMILES notation for 9-benzyl-2-N-propylpurine-2,6-diamine?
The canonical SMILES for 9-benzyl-2-N-propylpurine-2,6-diamine is CCCNc1nc(N)c2ncn(Cc3ccccc3)c2n1.
What is the InChIKey of 9-benzyl-2-N-propylpurine-2,6-diamine?
The InChIKey is GABDUVZFBGKVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-2-8-17-15-19-13(16)12-14(20-15)21(10-18-12)9-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H3,16,17,19,20).
What are the key properties of 9-benzyl-2-N-propylpurine-2,6-diamine?
9-benzyl-2-N-propylpurine-2,6-diamine has a molecular weight of 282.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-2-N-propylpurine-2,6-diamine is sourced from PubChem (CID 18332707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).