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

C12H14N6O — CID 114783888

IUPAC6-N-(furan-2-ylmethyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine
SMILESCNc1nc(N(C)Cc2ccco2)c2[nH]cnc2n1
InChIInChI=1S/C12H14N6O/c1-13-12-16-10-9(14-7-15-10)11(17-12)18(2)6-8-4-3-5-19-8/h3-5,7H,6H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyKJAOIQUKVUKSON-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.62
Rot. Bonds4

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

6-N-(furan-2-ylmethyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine (PubChem CID 114783888) has the molecular formula C12H14N6O and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-N-(furan-2-ylmethyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(furan-2-ylmethyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine
PubChem CID114783888
Molecular FormulaC12H14N6O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC Name6-N-(furan-2-ylmethyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine
SMILESCNc1nc(N(C)Cc2ccco2)c2[nH]cnc2n1
InChIInChI=1S/C12H14N6O/c1-13-12-16-10-9(14-7-15-10)11(17-12)18(2)6-8-4-3-5-19-8/h3-5,7H,6H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyKJAOIQUKVUKSON-UHFFFAOYSA-N
XLogP1.62
TPSA82.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N,6-N-bis(furan-2-ylmethyl)-7H-purine-2,6-diamine
CID 75505978
6-N,6-N-diethyl-2-N-methyl-7H-purine-2,6-diamine
CID 114783569
2-chloro-N-ethyl-N-(furan-2-ylmethyl)-7H-purin-6-amine
CID 104787205
2-N,6-N-dimethyl-6-N-[(1-methylpiperidin-4-yl)methyl]-7H-purine-2,6-diamine
CID 114785144
N-(furan-2-ylmethyl)-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 75466744
2-[methyl-[2-(methylamino)-7H-purin-6-yl]amino]benzonitrile
CID 114785699
2-N-ethyl-6-N-methyl-6-N-(2-thiophen-2-ylethyl)-7H-purine-2,6-diamine
CID 114785619
2-N,6-N-dimethyl-6-N-(1-methylsulfanylbutan-2-yl)-7H-purine-2,6-diamine
CID 114786019
N-[6-(furan-2-ylmethylamino)-7H-purin-2-yl]acetamide
CID 118310080
2-N,6-N-dimethyl-6-N-(1-methylpiperidin-4-yl)-7H-purine-2,6-diamine
CID 114783544
4-N-(furan-2-ylmethyl)-4-N,2-dimethyl-1H-imidazole-4,5-diamine
CID 82237096
5-ethyl-4-N-(furan-2-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80780940

Frequently Asked Questions

What is the IUPAC name of 6-N-(furan-2-ylmethyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(furan-2-ylmethyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine (CID 114783888) is 6-N-(furan-2-ylmethyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(furan-2-ylmethyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(furan-2-ylmethyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine is CNc1nc(N(C)Cc2ccco2)c2[nH]cnc2n1.
What is the InChIKey of 6-N-(furan-2-ylmethyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine?
The InChIKey is KJAOIQUKVUKSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O/c1-13-12-16-10-9(14-7-15-10)11(17-12)18(2)6-8-4-3-5-19-8/h3-5,7H,6H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 6-N-(furan-2-ylmethyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine?
6-N-(furan-2-ylmethyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine has a molecular weight of 258.28 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(furan-2-ylmethyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine is sourced from PubChem (CID 114783888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).