6-[(2-ethylimidazol-1-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C12H15N7 — CID 55163901

IUPAC6-[(2-ethylimidazol-1-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1nccn1Cc1nc(N)c2cnn(C)c2n1
InChIInChI=1S/C12H15N7/c1-3-10-14-4-5-19(10)7-9-16-11(13)8-6-15-18(2)12(8)17-9/h4-6H,3,7H2,1-2H3,(H2,13,16,17)
InChIKeyDUQUZFFBJNHGEK-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.75
Rot. Bonds3

About 6-[(2-ethylimidazol-1-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

6-[(2-ethylimidazol-1-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 55163901) has the molecular formula C12H15N7 and a molecular weight of 257.30 g/mol. Its IUPAC name is 6-[(2-ethylimidazol-1-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2-ethylimidazol-1-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID55163901
Molecular FormulaC12H15N7
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name6-[(2-ethylimidazol-1-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1nccn1Cc1nc(N)c2cnn(C)c2n1
InChIInChI=1S/C12H15N7/c1-3-10-14-4-5-19(10)7-9-16-11(13)8-6-15-18(2)12(8)17-9/h4-6H,3,7H2,1-2H3,(H2,13,16,17)
InChIKeyDUQUZFFBJNHGEK-UHFFFAOYSA-N
XLogP0.75
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-6-methylpyrimidin-4-one
CID 63221231
1-methyl-6-[(4-methylpyrazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220955
3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-1-methylimidazolidine-2,4-dione
CID 63221411
1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-5-chloropyrimidine-2,4-dione
CID 66424391
6-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 83221923
1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methylpiperazine-2,3-dione
CID 63220958
1-methyl-6-(phenoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221328
1-methyl-6-(3-methylbutan-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 107756543
2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-6-methylpyridazin-3-one
CID 63220960
1-methyl-6-(1,4-thiazepan-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221217
6-(2-methoxyethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220831
6-[(2,3-dichlorophenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63221106

Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethylimidazol-1-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-[(2-ethylimidazol-1-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 55163901) is 6-[(2-ethylimidazol-1-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(2-ethylimidazol-1-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(2-ethylimidazol-1-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is CCc1nccn1Cc1nc(N)c2cnn(C)c2n1.
What is the InChIKey of 6-[(2-ethylimidazol-1-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is DUQUZFFBJNHGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7/c1-3-10-14-4-5-19(10)7-9-16-11(13)8-6-15-18(2)12(8)17-9/h4-6H,3,7H2,1-2H3,(H2,13,16,17).
What are the key properties of 6-[(2-ethylimidazol-1-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-[(2-ethylimidazol-1-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 257.30 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethylimidazol-1-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 55163901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).