1-benzyl-6-butylpyrazolo[3,4-d]pyrimidine

C16H18N4 — CID 22115454

IUPAC1-benzyl-6-butylpyrazolo[3,4-d]pyrimidine
SMILESCCCCc1ncc2cnn(Cc3ccccc3)c2n1
InChIInChI=1S/C16H18N4/c1-2-3-9-15-17-10-14-11-18-20(16(14)19-15)12-13-7-5-4-6-8-13/h4-8,10-11H,2-3,9,12H2,1H3
InChIKeyWMFQWPOHUVBATA-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.22
Rot. Bonds5

About 1-benzyl-6-butylpyrazolo[3,4-d]pyrimidine

1-benzyl-6-butylpyrazolo[3,4-d]pyrimidine (PubChem CID 22115454) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-benzyl-6-butylpyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name1-benzyl-6-butylpyrazolo[3,4-d]pyrimidine
PubChem CID22115454
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name1-benzyl-6-butylpyrazolo[3,4-d]pyrimidine
SMILESCCCCc1ncc2cnn(Cc3ccccc3)c2n1
InChIInChI=1S/C16H18N4/c1-2-3-9-15-17-10-14-11-18-20(16(14)19-15)12-13-7-5-4-6-8-13/h4-8,10-11H,2-3,9,12H2,1H3
InChIKeyWMFQWPOHUVBATA-UHFFFAOYSA-N
XLogP3.22
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-benzyl-2-pentylpurine
CID 54073118
6-ethyl-1-[[3-(2-methoxyethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidine
CID 123933773
5-butyl-3-[(2-chlorophenyl)methyl]triazolo[4,5-d]pyrimidine
CID 152530328
1-benzyl-N,N-dibutylpyrazolo[5,4-d]pyrimidin-4-amine
CID 2270504
2-butyl-7-(2-phenylethyl)purine
CID 22115385
1-(1-benzylpyrazolo[5,4-b]pyridin-5-yl)-N-methylmethanamine
CID 63772569
1-benzyl-N,N-dipropylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 78839414
2-butyl-7-(4-phenylbutyl)purine
CID 22115462
2-butyl-5-(1-chloroethyl)-4-methylpyrimidine
CID 79412493
6-amino-9-benzyl-2-butyl-7H-purin-8-one
CID 11779385
1-benzyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 43042463
1-benzyl-5-butylimidazole
CID 10059100

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-butylpyrazolo[3,4-d]pyrimidine?
The IUPAC name of 1-benzyl-6-butylpyrazolo[3,4-d]pyrimidine (CID 22115454) is 1-benzyl-6-butylpyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 1-benzyl-6-butylpyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 1-benzyl-6-butylpyrazolo[3,4-d]pyrimidine is CCCCc1ncc2cnn(Cc3ccccc3)c2n1.
What is the InChIKey of 1-benzyl-6-butylpyrazolo[3,4-d]pyrimidine?
The InChIKey is WMFQWPOHUVBATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-2-3-9-15-17-10-14-11-18-20(16(14)19-15)12-13-7-5-4-6-8-13/h4-8,10-11H,2-3,9,12H2,1H3.
What are the key properties of 1-benzyl-6-butylpyrazolo[3,4-d]pyrimidine?
1-benzyl-6-butylpyrazolo[3,4-d]pyrimidine has a molecular weight of 266.35 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-butylpyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 22115454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).