9-ethyl-6-[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]purine

C19H21N7 — CID 125419058

IUPAC9-ethyl-6-[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]purine
SMILESCCn1cnc2c(N3CCC[C@@H]3c3nc4ccc(C)cc4[nH]3)ncnc21
InChIInChI=1S/C19H21N7/c1-3-25-11-22-16-18(25)20-10-21-19(16)26-8-4-5-15(26)17-23-13-7-6-12(2)9-14(13)24-17/h6-7,9-11,15H,3-5,8H2,1-2H3,(H,23,24)/t15-/m1/s1
InChIKeyQYIUFNMDDJSUOK-OAHLLOKOSA-N
MW347.43 g/mol
LogP3.37
Rot. Bonds3

About 9-ethyl-6-[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]purine

9-ethyl-6-[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]purine (PubChem CID 125419058) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 9-ethyl-6-[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]purine.

Molecular Properties

Compound Name9-ethyl-6-[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]purine
PubChem CID125419058
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name9-ethyl-6-[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]purine
SMILESCCn1cnc2c(N3CCC[C@@H]3c3nc4ccc(C)cc4[nH]3)ncnc21
InChIInChI=1S/C19H21N7/c1-3-25-11-22-16-18(25)20-10-21-19(16)26-8-4-5-15(26)17-23-13-7-6-12(2)9-14(13)24-17/h6-7,9-11,15H,3-5,8H2,1-2H3,(H,23,24)/t15-/m1/s1
InChIKeyQYIUFNMDDJSUOK-OAHLLOKOSA-N
XLogP3.37
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-ethyl-6-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]purine
CID 126810476
4-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 139005528
9-ethyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]purine
CID 124735733
2-[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-6-methyl-1H-benzimidazole
CID 125419133
[2-methyl-6-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]methanamine
CID 56714765
6-[2-(ethoxymethyl)piperidin-1-yl]-9-ethylpurine
CID 122152956
3-[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propanoic acid
CID 95725718
6-methyl-2-[1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole
CID 46992019
6-methyl-2-[1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole
CID 45248260
3-ethoxy-1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 70753192
[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 124614174
2-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 167762189

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-6-[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]purine?
The IUPAC name of 9-ethyl-6-[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]purine (CID 125419058) is 9-ethyl-6-[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]purine.
What is the SMILES notation for 9-ethyl-6-[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]purine?
The canonical SMILES for 9-ethyl-6-[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]purine is CCn1cnc2c(N3CCC[C@@H]3c3nc4ccc(C)cc4[nH]3)ncnc21.
What is the InChIKey of 9-ethyl-6-[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]purine?
The InChIKey is QYIUFNMDDJSUOK-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21N7/c1-3-25-11-22-16-18(25)20-10-21-19(16)26-8-4-5-15(26)17-23-13-7-6-12(2)9-14(13)24-17/h6-7,9-11,15H,3-5,8H2,1-2H3,(H,23,24)/t15-/m1/s1.
What are the key properties of 9-ethyl-6-[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]purine?
9-ethyl-6-[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]purine has a molecular weight of 347.43 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-6-[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]purine is sourced from PubChem (CID 125419058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).