6-N-(3-ethyl-1-methylpyrazol-4-yl)-7H-purine-2,6-diamine

C11H14N8 — CID 107465233

IUPAC6-N-(3-ethyl-1-methylpyrazol-4-yl)-7H-purine-2,6-diamine
SMILESCCc1nn(C)cc1Nc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C11H14N8/c1-3-6-7(4-19(2)18-6)15-10-8-9(14-5-13-8)16-11(12)17-10/h4-5H,3H2,1-2H3,(H4,12,13,14,15,16,17)
InChIKeyRDVXHOGZTDBNBT-UHFFFAOYSA-N
MW258.29 g/mol
LogP0.97
Rot. Bonds3

About 6-N-(3-ethyl-1-methylpyrazol-4-yl)-7H-purine-2,6-diamine

6-N-(3-ethyl-1-methylpyrazol-4-yl)-7H-purine-2,6-diamine (PubChem CID 107465233) has the molecular formula C11H14N8 and a molecular weight of 258.29 g/mol. Its IUPAC name is 6-N-(3-ethyl-1-methylpyrazol-4-yl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(3-ethyl-1-methylpyrazol-4-yl)-7H-purine-2,6-diamine
PubChem CID107465233
Molecular FormulaC11H14N8
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name6-N-(3-ethyl-1-methylpyrazol-4-yl)-7H-purine-2,6-diamine
SMILESCCc1nn(C)cc1Nc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C11H14N8/c1-3-6-7(4-19(2)18-6)15-10-8-9(14-5-13-8)16-11(12)17-10/h4-5H,3H2,1-2H3,(H4,12,13,14,15,16,17)
InChIKeyRDVXHOGZTDBNBT-UHFFFAOYSA-N
XLogP0.97
TPSA110.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-propyl-7H-purine-2,6-diamine
CID 22916641
N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 107465309
3-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid
CID 107464523
2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrimidin-4-amine
CID 107464314
6-N-(5-bromo-2-methoxyphenyl)-7H-purine-2,6-diamine
CID 114784409
6-N-(4-chlorophenyl)-7H-purine-2,6-diamine
CID 14091121
4-N-(3-ethyl-1-methylpyrazol-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 107465150
2-[(2-amino-7H-purin-6-yl)amino]-N-ethyl-N-methylacetamide
CID 104925667
6-N-tert-butyl-7H-purine-2,6-diamine
CID 114783406
6-N-[(3R)-2-methylpentan-3-yl]-7H-purine-2,6-diamine
CID 67950737
6-N-(2-bromo-4-chlorophenyl)-7H-purine-2,6-diamine
CID 114785747
5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinylpyrimidin-4-amine
CID 107465311

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-ethyl-1-methylpyrazol-4-yl)-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(3-ethyl-1-methylpyrazol-4-yl)-7H-purine-2,6-diamine (CID 107465233) is 6-N-(3-ethyl-1-methylpyrazol-4-yl)-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(3-ethyl-1-methylpyrazol-4-yl)-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(3-ethyl-1-methylpyrazol-4-yl)-7H-purine-2,6-diamine is CCc1nn(C)cc1Nc1nc(N)nc2nc[nH]c12.
What is the InChIKey of 6-N-(3-ethyl-1-methylpyrazol-4-yl)-7H-purine-2,6-diamine?
The InChIKey is RDVXHOGZTDBNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N8/c1-3-6-7(4-19(2)18-6)15-10-8-9(14-5-13-8)16-11(12)17-10/h4-5H,3H2,1-2H3,(H4,12,13,14,15,16,17).
What are the key properties of 6-N-(3-ethyl-1-methylpyrazol-4-yl)-7H-purine-2,6-diamine?
6-N-(3-ethyl-1-methylpyrazol-4-yl)-7H-purine-2,6-diamine has a molecular weight of 258.29 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-ethyl-1-methylpyrazol-4-yl)-7H-purine-2,6-diamine is sourced from PubChem (CID 107465233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).