N-ethyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C17H19N7 — CID 134714406

IUPACN-ethyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCN(CCc1nc2c(C)cccc2[nH]1)c1ncnc2[nH]ncc12
InChIInChI=1S/C17H19N7/c1-3-24(17-12-9-20-23-16(12)18-10-19-17)8-7-14-21-13-6-4-5-11(2)15(13)22-14/h4-6,9-10H,3,7-8H2,1-2H3,(H,21,22)(H,18,19,20,23)
InChIKeyCDUBQZUSXNFBBX-UHFFFAOYSA-N
MW321.39 g/mol
LogP2.61
Rot. Bonds5

About N-ethyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-ethyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 134714406) has the molecular formula C17H19N7 and a molecular weight of 321.39 g/mol. Its IUPAC name is N-ethyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID134714406
Molecular FormulaC17H19N7
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC NameN-ethyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCN(CCc1nc2c(C)cccc2[nH]1)c1ncnc2[nH]ncc12
InChIInChI=1S/C17H19N7/c1-3-24(17-12-9-20-23-16(12)18-10-19-17)8-7-14-21-13-6-4-5-11(2)15(13)22-14/h4-6,9-10H,3,7-8H2,1-2H3,(H,21,22)(H,18,19,20,23)
InChIKeyCDUBQZUSXNFBBX-UHFFFAOYSA-N
XLogP2.61
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 50966877
N-propyl-N-(2-pyridin-2-ylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 71980290
N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine
CID 26722492
N-benzyl-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133383867
8-[ethyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-3,7-dimethylpurine-2,6-dione
CID 134711310
5-(4-methyl-1H-benzimidazol-2-yl)pentan-2-amine
CID 82846263
2-(2-methoxyethyl)-4-methyl-1H-benzimidazole
CID 64722498
N-methyl-1-(4-methyl-1H-benzimidazol-2-yl)-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]methanamine
CID 58884472
2-(chloromethyl)-4-methyl-1H-benzimidazole
CID 12953834
N-(3-aminobutyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
CID 119497235
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine
CID 91836620
2-[3-(2,3-dimethylphenyl)propyl]-4-methyl-1H-benzimidazole
CID 19000532

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 134714406) is N-ethyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is CCN(CCc1nc2c(C)cccc2[nH]1)c1ncnc2[nH]ncc12.
What is the InChIKey of N-ethyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is CDUBQZUSXNFBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7/c1-3-24(17-12-9-20-23-16(12)18-10-19-17)8-7-14-21-13-6-4-5-11(2)15(13)22-14/h4-6,9-10H,3,7-8H2,1-2H3,(H,21,22)(H,18,19,20,23).
What are the key properties of N-ethyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-ethyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 321.39 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 134714406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).