2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]-7H-purine-2,6-diamine

C13H16N8 — CID 114785046

IUPAC2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]-7H-purine-2,6-diamine
SMILESCCNc1nc(NCc2cnc(C)cn2)c2[nH]cnc2n1
InChIInChI=1S/C13H16N8/c1-3-14-13-20-11(10-12(21-13)19-7-18-10)17-6-9-5-15-8(2)4-16-9/h4-5,7H,3,6H2,1-2H3,(H3,14,17,18,19,20,21)
InChIKeyGLULZFCRIFGPQY-UHFFFAOYSA-N
MW284.33 g/mol
LogP1.50
Rot. Bonds5

About 2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]-7H-purine-2,6-diamine

2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]-7H-purine-2,6-diamine (PubChem CID 114785046) has the molecular formula C13H16N8 and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]-7H-purine-2,6-diamine
PubChem CID114785046
Molecular FormulaC13H16N8
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]-7H-purine-2,6-diamine
SMILESCCNc1nc(NCc2cnc(C)cn2)c2[nH]cnc2n1
InChIInChI=1S/C13H16N8/c1-3-14-13-20-11(10-12(21-13)19-7-18-10)17-6-9-5-15-8(2)4-16-9/h4-5,7H,3,6H2,1-2H3,(H3,14,17,18,19,20,21)
InChIKeyGLULZFCRIFGPQY-UHFFFAOYSA-N
XLogP1.50
TPSA104.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-ethyl-6-N-[(2-methylpyrimidin-4-yl)methyl]-7H-purine-2,6-diamine
CID 114784815
2-N-ethyl-6-N-[(3-methyl-4-pyridinyl)methyl]-7H-purine-2,6-diamine
CID 114786623
6-N-[(4-chlorophenyl)methyl]-2-N-ethyl-7H-purine-2,6-diamine
CID 114783629
2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 114783696
2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine
CID 114786528
2-N-ethyl-6-N-(thiophen-3-ylmethyl)-7H-purine-2,6-diamine
CID 114785152
2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine
CID 114785175
2-N-ethyl-6-N-octyl-7H-purine-2,6-diamine
CID 114785797
6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine
CID 114783648
2-N-ethyl-6-N-(4-methylphenyl)-7H-purine-2,6-diamine
CID 114783532
6-N-(2,2-dicyclopropylethyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 114785499
2-N-ethyl-6-N-(2-methylsulfonylethyl)-7H-purine-2,6-diamine
CID 114784046

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]-7H-purine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]-7H-purine-2,6-diamine (CID 114785046) is 2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]-7H-purine-2,6-diamine is CCNc1nc(NCc2cnc(C)cn2)c2[nH]cnc2n1.
What is the InChIKey of 2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]-7H-purine-2,6-diamine?
The InChIKey is GLULZFCRIFGPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N8/c1-3-14-13-20-11(10-12(21-13)19-7-18-10)17-6-9-5-15-8(2)4-16-9/h4-5,7H,3,6H2,1-2H3,(H3,14,17,18,19,20,21).
What are the key properties of 2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]-7H-purine-2,6-diamine?
2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]-7H-purine-2,6-diamine has a molecular weight of 284.33 g/mol, XLogP of 1.50, 5 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-[(5-methylpyrazin-2-yl)methyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 114785046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).