5-ethyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C17H18N6 — CID 70783218

IUPAC5-ethyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCc2nc3c(C)cccc3[nH]2)n2nccc2n1
InChIInChI=1S/C17H18N6/c1-3-12-9-16(23-15(20-12)7-8-19-23)18-10-14-21-13-6-4-5-11(2)17(13)22-14/h4-9,18H,3,10H2,1-2H3,(H,21,22)
InChIKeyUIEJWVLWVDLGEA-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.09
Rot. Bonds4

About 5-ethyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-ethyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70783218) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-ethyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70783218
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name5-ethyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCc2nc3c(C)cccc3[nH]2)n2nccc2n1
InChIInChI=1S/C17H18N6/c1-3-12-9-16(23-15(20-12)7-8-19-23)18-10-14-21-13-6-4-5-11(2)17(13)22-14/h4-9,18H,3,10H2,1-2H3,(H,21,22)
InChIKeyUIEJWVLWVDLGEA-UHFFFAOYSA-N
XLogP3.09
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 70783218) is 5-ethyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is CCc1cc(NCc2nc3c(C)cccc3[nH]2)n2nccc2n1.
What is the InChIKey of 5-ethyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UIEJWVLWVDLGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c1-3-12-9-16(23-15(20-12)7-8-19-23)18-10-14-21-13-6-4-5-11(2)17(13)22-14/h4-9,18H,3,10H2,1-2H3,(H,21,22).
What are the key properties of 5-ethyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-ethyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 306.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70783218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).