2-N,6-N-dimethyl-6-N-(oxan-4-ylmethyl)-7H-purine-2,6-diamine

C13H20N6O — CID 114785237

IUPAC2-N,6-N-dimethyl-6-N-(oxan-4-ylmethyl)-7H-purine-2,6-diamine
SMILESCNc1nc(N(C)CC2CCOCC2)c2[nH]cnc2n1
InChIInChI=1S/C13H20N6O/c1-14-13-17-11-10(15-8-16-11)12(18-13)19(2)7-9-3-5-20-6-4-9/h8-9H,3-7H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyBZOBRUVYCQUGRH-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.26
Rot. Bonds4

About 2-N,6-N-dimethyl-6-N-(oxan-4-ylmethyl)-7H-purine-2,6-diamine

2-N,6-N-dimethyl-6-N-(oxan-4-ylmethyl)-7H-purine-2,6-diamine (PubChem CID 114785237) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-N,6-N-dimethyl-6-N-(oxan-4-ylmethyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-dimethyl-6-N-(oxan-4-ylmethyl)-7H-purine-2,6-diamine
PubChem CID114785237
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name2-N,6-N-dimethyl-6-N-(oxan-4-ylmethyl)-7H-purine-2,6-diamine
SMILESCNc1nc(N(C)CC2CCOCC2)c2[nH]cnc2n1
InChIInChI=1S/C13H20N6O/c1-14-13-17-11-10(15-8-16-11)12(18-13)19(2)7-9-3-5-20-6-4-9/h8-9H,3-7H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyBZOBRUVYCQUGRH-UHFFFAOYSA-N
XLogP1.26
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,6-N-dimethyl-6-N-[(1-methylpiperidin-4-yl)methyl]-7H-purine-2,6-diamine
CID 114785144
6-N-(cyclopropylmethyl)-6-N-methyl-2-N-propyl-7H-purine-2,6-diamine
CID 114784058
6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine
CID 114784841
N-methyl-6-(oxolan-3-ylmethoxy)-7H-purin-2-amine
CID 114787546
6-N,6-N-diethyl-2-N-methyl-7H-purine-2,6-diamine
CID 114783569
2-N-methyl-6-N-(oxolan-3-ylmethyl)-7H-purine-2,6-diamine
CID 114785045
6-N-(furan-2-ylmethyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine
CID 114783888
5-[methyl-[2-(methylamino)-7H-purin-6-yl]amino]pentan-1-ol
CID 107207561
2-N,6-N-dimethyl-6-N-(1-methylpiperidin-4-yl)-7H-purine-2,6-diamine
CID 114783544
N-methyl-6-(oxolan-3-yloxy)-7H-purin-2-amine
CID 114787729
2-N,3-N-dimethyl-2-N,3-N-bis(oxan-4-ylmethyl)pyrazine-2,3-diamine
CID 75478549
6-(cyclopropylmethoxy)-N-methyl-7H-purin-2-amine
CID 114786939

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-dimethyl-6-N-(oxan-4-ylmethyl)-7H-purine-2,6-diamine?
The IUPAC name of 2-N,6-N-dimethyl-6-N-(oxan-4-ylmethyl)-7H-purine-2,6-diamine (CID 114785237) is 2-N,6-N-dimethyl-6-N-(oxan-4-ylmethyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N,6-N-dimethyl-6-N-(oxan-4-ylmethyl)-7H-purine-2,6-diamine?
The canonical SMILES for 2-N,6-N-dimethyl-6-N-(oxan-4-ylmethyl)-7H-purine-2,6-diamine is CNc1nc(N(C)CC2CCOCC2)c2[nH]cnc2n1.
What is the InChIKey of 2-N,6-N-dimethyl-6-N-(oxan-4-ylmethyl)-7H-purine-2,6-diamine?
The InChIKey is BZOBRUVYCQUGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-14-13-17-11-10(15-8-16-11)12(18-13)19(2)7-9-3-5-20-6-4-9/h8-9H,3-7H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 2-N,6-N-dimethyl-6-N-(oxan-4-ylmethyl)-7H-purine-2,6-diamine?
2-N,6-N-dimethyl-6-N-(oxan-4-ylmethyl)-7H-purine-2,6-diamine has a molecular weight of 276.34 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-dimethyl-6-N-(oxan-4-ylmethyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 114785237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).