2-N-ethyl-6-N-[2-(1-methylpyrazol-3-yl)ethyl]-7H-purine-2,6-diamine

C13H18N8 — CID 106106749

IUPAC2-N-ethyl-6-N-[2-(1-methylpyrazol-3-yl)ethyl]-7H-purine-2,6-diamine
SMILESCCNc1nc(NCCc2ccn(C)n2)c2[nH]cnc2n1
InChIInChI=1S/C13H18N8/c1-3-14-13-18-11(10-12(19-13)17-8-16-10)15-6-4-9-5-7-21(2)20-9/h5,7-8H,3-4,6H2,1-2H3,(H3,14,15,16,17,18,19)
InChIKeyIMQGVSHJKCHPBS-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.17
Rot. Bonds6

About 2-N-ethyl-6-N-[2-(1-methylpyrazol-3-yl)ethyl]-7H-purine-2,6-diamine

2-N-ethyl-6-N-[2-(1-methylpyrazol-3-yl)ethyl]-7H-purine-2,6-diamine (PubChem CID 106106749) has the molecular formula C13H18N8 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-N-ethyl-6-N-[2-(1-methylpyrazol-3-yl)ethyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-[2-(1-methylpyrazol-3-yl)ethyl]-7H-purine-2,6-diamine
PubChem CID106106749
Molecular FormulaC13H18N8
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name2-N-ethyl-6-N-[2-(1-methylpyrazol-3-yl)ethyl]-7H-purine-2,6-diamine
SMILESCCNc1nc(NCCc2ccn(C)n2)c2[nH]cnc2n1
InChIInChI=1S/C13H18N8/c1-3-14-13-18-11(10-12(19-13)17-8-16-10)15-6-4-9-5-7-21(2)20-9/h5,7-8H,3-4,6H2,1-2H3,(H3,14,15,16,17,18,19)
InChIKeyIMQGVSHJKCHPBS-UHFFFAOYSA-N
XLogP1.17
TPSA96.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-[2-(1-methylpyrazol-3-yl)ethyl]-7H-purine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-[2-(1-methylpyrazol-3-yl)ethyl]-7H-purine-2,6-diamine (CID 106106749) is 2-N-ethyl-6-N-[2-(1-methylpyrazol-3-yl)ethyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-[2-(1-methylpyrazol-3-yl)ethyl]-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-[2-(1-methylpyrazol-3-yl)ethyl]-7H-purine-2,6-diamine is CCNc1nc(NCCc2ccn(C)n2)c2[nH]cnc2n1.
What is the InChIKey of 2-N-ethyl-6-N-[2-(1-methylpyrazol-3-yl)ethyl]-7H-purine-2,6-diamine?
The InChIKey is IMQGVSHJKCHPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N8/c1-3-14-13-18-11(10-12(19-13)17-8-16-10)15-6-4-9-5-7-21(2)20-9/h5,7-8H,3-4,6H2,1-2H3,(H3,14,15,16,17,18,19).
What are the key properties of 2-N-ethyl-6-N-[2-(1-methylpyrazol-3-yl)ethyl]-7H-purine-2,6-diamine?
2-N-ethyl-6-N-[2-(1-methylpyrazol-3-yl)ethyl]-7H-purine-2,6-diamine has a molecular weight of 286.34 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-[2-(1-methylpyrazol-3-yl)ethyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 106106749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).