N'-[[5-(6-amino-7,8-dihydropurin-9-yl)oxolan-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine

C14H25N7O — CID 144654821

IUPACN'-[[5-(6-amino-7,8-dihydropurin-9-yl)oxolan-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)CC1CCC(N2CNc3c(N)ncnc32)O1
InChIInChI=1S/C14H25N7O/c1-16-5-6-20(2)7-10-3-4-11(22-10)21-9-19-12-13(15)17-8-18-14(12)21/h8,10-11,16,19H,3-7,9H2,1-2H3,(H2,15,17,18)
InChIKeyVBJJVRBMCRPRSU-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.10
Rot. Bonds6

About N'-[[5-(6-amino-7,8-dihydropurin-9-yl)oxolan-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine

N'-[[5-(6-amino-7,8-dihydropurin-9-yl)oxolan-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 144654821) has the molecular formula C14H25N7O and a molecular weight of 307.40 g/mol. Its IUPAC name is N'-[[5-(6-amino-7,8-dihydropurin-9-yl)oxolan-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[5-(6-amino-7,8-dihydropurin-9-yl)oxolan-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID144654821
Molecular FormulaC14H25N7O
Molecular Weight307.40 g/mol
Exact Mass307.21
IUPAC NameN'-[[5-(6-amino-7,8-dihydropurin-9-yl)oxolan-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)CC1CCC(N2CNc3c(N)ncnc32)O1
InChIInChI=1S/C14H25N7O/c1-16-5-6-20(2)7-10-3-4-11(22-10)21-9-19-12-13(15)17-8-18-14(12)21/h8,10-11,16,19H,3-7,9H2,1-2H3,(H2,15,17,18)
InChIKeyVBJJVRBMCRPRSU-UHFFFAOYSA-N
XLogP-0.10
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N'-[[5-(6-amino-7,8-dihydropurin-9-yl)oxolan-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[[5-(6-amino-7,8-dihydropurin-9-yl)oxolan-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine (CID 144654821) is N'-[[5-(6-amino-7,8-dihydropurin-9-yl)oxolan-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[[5-(6-amino-7,8-dihydropurin-9-yl)oxolan-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[[5-(6-amino-7,8-dihydropurin-9-yl)oxolan-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)CC1CCC(N2CNc3c(N)ncnc32)O1.
What is the InChIKey of N'-[[5-(6-amino-7,8-dihydropurin-9-yl)oxolan-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is VBJJVRBMCRPRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N7O/c1-16-5-6-20(2)7-10-3-4-11(22-10)21-9-19-12-13(15)17-8-18-14(12)21/h8,10-11,16,19H,3-7,9H2,1-2H3,(H2,15,17,18).
What are the key properties of N'-[[5-(6-amino-7,8-dihydropurin-9-yl)oxolan-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
N'-[[5-(6-amino-7,8-dihydropurin-9-yl)oxolan-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 307.40 g/mol, XLogP of -0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-(6-amino-7,8-dihydropurin-9-yl)oxolan-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 144654821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).