6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-N-propyl-7H-purine-2,6-diamine

C12H16N8O — CID 106411749

IUPAC6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-N-propyl-7H-purine-2,6-diamine
SMILESCCCNc1nc(NCc2noc(C)n2)c2[nH]cnc2n1
InChIInChI=1S/C12H16N8O/c1-3-4-13-12-18-10(9-11(19-12)16-6-15-9)14-5-8-17-7(2)21-20-8/h6H,3-5H2,1-2H3,(H3,13,14,15,16,18,19)
InChIKeyUVNDARPRISYCNM-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.48
Rot. Bonds6

About 6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-N-propyl-7H-purine-2,6-diamine

6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-N-propyl-7H-purine-2,6-diamine (PubChem CID 106411749) has the molecular formula C12H16N8O and a molecular weight of 288.31 g/mol. Its IUPAC name is 6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-N-propyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-N-propyl-7H-purine-2,6-diamine
PubChem CID106411749
Molecular FormulaC12H16N8O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-N-propyl-7H-purine-2,6-diamine
SMILESCCCNc1nc(NCc2noc(C)n2)c2[nH]cnc2n1
InChIInChI=1S/C12H16N8O/c1-3-4-13-12-18-10(9-11(19-12)16-6-15-9)14-5-8-17-7(2)21-20-8/h6H,3-5H2,1-2H3,(H3,13,14,15,16,18,19)
InChIKeyUVNDARPRISYCNM-UHFFFAOYSA-N
XLogP1.48
TPSA117.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-N-propyl-7H-purine-2,6-diamine with MolForge

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Related Compounds

2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
6-N-(2,2-dimethylpropyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114784070
6-N-[(5-bromothiophen-2-yl)methyl]-2-N-propyl-7H-purine-2,6-diamine
CID 114785336
6-N-(2-methoxyethyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783641
6-N-(2-methylbutan-2-yl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783401
1-[[2-(propylamino)-7H-purin-6-yl]amino]propan-2-ol
CID 114783868
6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propyl-7H-purine-2,6-diamine
CID 114785089
6-N-(1-methylcyclopentyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114785405
2-N-propyl-6-N-(thian-4-ylmethyl)-7H-purine-2,6-diamine
CID 114786418
2-hydroxy-3-[[2-(propylamino)-7H-purin-6-yl]amino]propanamide
CID 106179008
3-[[2-(propylamino)-7H-purin-6-yl]amino]cyclobutan-1-ol
CID 114785530
6-N-propyl-7H-purine-2,6-diamine
CID 22916641

Frequently Asked Questions

What is the IUPAC name of 6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-N-propyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-N-propyl-7H-purine-2,6-diamine (CID 106411749) is 6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-N-propyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-N-propyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-N-propyl-7H-purine-2,6-diamine is CCCNc1nc(NCc2noc(C)n2)c2[nH]cnc2n1.
What is the InChIKey of 6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-N-propyl-7H-purine-2,6-diamine?
The InChIKey is UVNDARPRISYCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N8O/c1-3-4-13-12-18-10(9-11(19-12)16-6-15-9)14-5-8-17-7(2)21-20-8/h6H,3-5H2,1-2H3,(H3,13,14,15,16,18,19).
What are the key properties of 6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-N-propyl-7H-purine-2,6-diamine?
6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-N-propyl-7H-purine-2,6-diamine has a molecular weight of 288.31 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-N-propyl-7H-purine-2,6-diamine is sourced from PubChem (CID 106411749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).