2-N,6-N-dimethyl-6-N-(1-methylpiperidin-4-yl)-7H-purine-2,6-diamine

C13H21N7 — CID 114783544

IUPAC2-N,6-N-dimethyl-6-N-(1-methylpiperidin-4-yl)-7H-purine-2,6-diamine
SMILESCNc1nc(N(C)C2CCN(C)CC2)c2[nH]cnc2n1
InChIInChI=1S/C13H21N7/c1-14-13-17-11-10(15-8-16-11)12(18-13)20(3)9-4-6-19(2)7-5-9/h8-9H,4-7H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyJOPOKYNTAHUUFX-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.93
Rot. Bonds3

About 2-N,6-N-dimethyl-6-N-(1-methylpiperidin-4-yl)-7H-purine-2,6-diamine

2-N,6-N-dimethyl-6-N-(1-methylpiperidin-4-yl)-7H-purine-2,6-diamine (PubChem CID 114783544) has the molecular formula C13H21N7 and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-N,6-N-dimethyl-6-N-(1-methylpiperidin-4-yl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-dimethyl-6-N-(1-methylpiperidin-4-yl)-7H-purine-2,6-diamine
PubChem CID114783544
Molecular FormulaC13H21N7
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name2-N,6-N-dimethyl-6-N-(1-methylpiperidin-4-yl)-7H-purine-2,6-diamine
SMILESCNc1nc(N(C)C2CCN(C)CC2)c2[nH]cnc2n1
InChIInChI=1S/C13H21N7/c1-14-13-17-11-10(15-8-16-11)12(18-13)20(3)9-4-6-19(2)7-5-9/h8-9H,4-7H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyJOPOKYNTAHUUFX-UHFFFAOYSA-N
XLogP0.93
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-dimethyl-6-N-(1-methylpiperidin-4-yl)-7H-purine-2,6-diamine?
The IUPAC name of 2-N,6-N-dimethyl-6-N-(1-methylpiperidin-4-yl)-7H-purine-2,6-diamine (CID 114783544) is 2-N,6-N-dimethyl-6-N-(1-methylpiperidin-4-yl)-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N,6-N-dimethyl-6-N-(1-methylpiperidin-4-yl)-7H-purine-2,6-diamine?
The canonical SMILES for 2-N,6-N-dimethyl-6-N-(1-methylpiperidin-4-yl)-7H-purine-2,6-diamine is CNc1nc(N(C)C2CCN(C)CC2)c2[nH]cnc2n1.
What is the InChIKey of 2-N,6-N-dimethyl-6-N-(1-methylpiperidin-4-yl)-7H-purine-2,6-diamine?
The InChIKey is JOPOKYNTAHUUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7/c1-14-13-17-11-10(15-8-16-11)12(18-13)20(3)9-4-6-19(2)7-5-9/h8-9H,4-7H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of 2-N,6-N-dimethyl-6-N-(1-methylpiperidin-4-yl)-7H-purine-2,6-diamine?
2-N,6-N-dimethyl-6-N-(1-methylpiperidin-4-yl)-7H-purine-2,6-diamine has a molecular weight of 275.36 g/mol, XLogP of 0.93, 3 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-(1-methylpiperidin-4-yl)-7H-purine-2,6-diamine is sourced from PubChem (CID 114783544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).