6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

C11H14N8O — CID 106424196

IUPAC6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCNc1nc(NCCc2noc(C)n2)c2cn[nH]c2n1
InChIInChI=1S/C11H14N8O/c1-6-15-8(19-20-6)3-4-13-9-7-5-14-18-10(7)17-11(12-2)16-9/h5H,3-4H2,1-2H3,(H3,12,13,14,16,17,18)
InChIKeyFJFLIRBQBBYVQI-UHFFFAOYSA-N
MW274.29 g/mol
LogP0.74
Rot. Bonds5

About 6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (PubChem CID 106424196) has the molecular formula C11H14N8O and a molecular weight of 274.29 g/mol. Its IUPAC name is 6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
PubChem CID106424196
Molecular FormulaC11H14N8O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCNc1nc(NCCc2noc(C)n2)c2cn[nH]c2n1
InChIInChI=1S/C11H14N8O/c1-6-15-8(19-20-6)3-4-13-9-7-5-14-18-10(7)17-11(12-2)16-9/h5H,3-4H2,1-2H3,(H3,12,13,14,16,17,18)
InChIKeyFJFLIRBQBBYVQI-UHFFFAOYSA-N
XLogP0.74
TPSA117.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-N,5-dimethyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 114187027
6-N-ethyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 106412206
5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106424726
5-ethyl-6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106424216
5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1H-pyridazin-6-one
CID 106418541
N,2,2-trimethyl-3-[[6-(methylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]propanamide
CID 106280704
2,3-dimethyl-3-[[6-(methylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-2-ol
CID 106198492
6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106424218
6-N-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 103012320
2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine
CID 106413986
6-ethyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 106424249
5-bromo-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106424292

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (CID 106424196) is 6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is CNc1nc(NCCc2noc(C)n2)c2cn[nH]c2n1.
What is the InChIKey of 6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is FJFLIRBQBBYVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N8O/c1-6-15-8(19-20-6)3-4-13-9-7-5-14-18-10(7)17-11(12-2)16-9/h5H,3-4H2,1-2H3,(H3,12,13,14,16,17,18).
What are the key properties of 6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 274.29 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 106424196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).