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

C12H16N8 — CID 114785175

IUPAC2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine
SMILESCCNc1nc(NCc2ccnn2C)c2[nH]cnc2n1
InChIInChI=1S/C12H16N8/c1-3-13-12-18-10(9-11(19-12)16-7-15-9)14-6-8-4-5-17-20(8)2/h4-5,7H,3,6H2,1-2H3,(H3,13,14,15,16,18,19)
InChIKeySKKLKGLRCYQJQU-UHFFFAOYSA-N
MW272.32 g/mol
LogP1.13
Rot. Bonds5

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

2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine (PubChem CID 114785175) has the molecular formula C12H16N8 and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine
PubChem CID114785175
Molecular FormulaC12H16N8
Molecular Weight272.32 g/mol
Exact Mass272.15
IUPAC Name2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine
SMILESCCNc1nc(NCc2ccnn2C)c2[nH]cnc2n1
InChIInChI=1S/C12H16N8/c1-3-13-12-18-10(9-11(19-12)16-7-15-9)14-6-8-4-5-17-20(8)2/h4-5,7H,3,6H2,1-2H3,(H3,13,14,15,16,18,19)
InChIKeySKKLKGLRCYQJQU-UHFFFAOYSA-N
XLogP1.13
TPSA96.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 51.13
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
6-N-[(4-chlorophenyl)methyl]-2-N-ethyl-7H-purine-2,6-diamine
CID 114783629
2-N-ethyl-6-N-[(3-methyl-4-pyridinyl)methyl]-7H-purine-2,6-diamine
CID 114786623
2-N-ethyl-6-N-(thiophen-3-ylmethyl)-7H-purine-2,6-diamine
CID 114785152
2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]-7H-purine-2,6-diamine
CID 114785046
2-N-ethyl-6-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine
CID 114785632
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-[2-(1-methylpyrazol-3-yl)ethyl]-7H-purine-2,6-diamine
CID 106106749
2-N-ethyl-6-N-(4-fluorophenyl)-7H-purine-2,6-diamine
CID 114783490
2-N-ethyl-6-N-octyl-7H-purine-2,6-diamine
CID 114785797
2-N-ethyl-6-N-(4-methylphenyl)-7H-purine-2,6-diamine
CID 114783532

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine (CID 114785175) is 2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine is CCNc1nc(NCc2ccnn2C)c2[nH]cnc2n1.
What is the InChIKey of 2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine?
The InChIKey is SKKLKGLRCYQJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N8/c1-3-13-12-18-10(9-11(19-12)16-7-15-9)14-6-8-4-5-17-20(8)2/h4-5,7H,3,6H2,1-2H3,(H3,13,14,15,16,18,19).
What are the key properties of 2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine?
2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine has a molecular weight of 272.32 g/mol, XLogP of 1.13, 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-[(2-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 114785175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).