1-benzyl-N,N-dibutylpyrazolo[5,4-d]pyrimidin-4-amine

C20H27N5 — CID 2270504

IUPAC1-benzyl-N,N-dibutylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCCCN(CCCC)c1ncnc2c1cnn2Cc1ccccc1
InChIInChI=1S/C20H27N5/c1-3-5-12-24(13-6-4-2)19-18-14-23-25(20(18)22-16-21-19)15-17-10-8-7-9-11-17/h7-11,14,16H,3-6,12-13,15H2,1-2H3
InChIKeyCFDOUGOBOBCNBX-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.28
Rot. Bonds9

About 1-benzyl-N,N-dibutylpyrazolo[5,4-d]pyrimidin-4-amine

1-benzyl-N,N-dibutylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 2270504) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-benzyl-N,N-dibutylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N,N-dibutylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID2270504
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC Name1-benzyl-N,N-dibutylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCCCN(CCCC)c1ncnc2c1cnn2Cc1ccccc1
InChIInChI=1S/C20H27N5/c1-3-5-12-24(13-6-4-2)19-18-14-23-25(20(18)22-16-21-19)15-17-10-8-7-9-11-17/h7-11,14,16H,3-6,12-13,15H2,1-2H3
InChIKeyCFDOUGOBOBCNBX-UHFFFAOYSA-N
XLogP4.28
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

R121919
CID 9821250
1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
CID 1400
4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
1-(tert-Butyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 10492061
Unc569
CID 53355503
(R)-Zinc-3573
CID 95882507
3MB-PP1
CID 24865390
N-[(4-Chlorophenyl)methyl]-1-Methyl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 228292
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
Benzyl-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine
CID 219778
1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N,N-diethyl-3-phenyl-
CID 3071195
1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N-ethyl-N-methyl-3-phenyl-
CID 3071198

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N,N-dibutylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 1-benzyl-N,N-dibutylpyrazolo[5,4-d]pyrimidin-4-amine (CID 2270504) is 1-benzyl-N,N-dibutylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-benzyl-N,N-dibutylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-benzyl-N,N-dibutylpyrazolo[5,4-d]pyrimidin-4-amine is CCCCN(CCCC)c1ncnc2c1cnn2Cc1ccccc1.
What is the InChIKey of 1-benzyl-N,N-dibutylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is CFDOUGOBOBCNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5/c1-3-5-12-24(13-6-4-2)19-18-14-23-25(20(18)22-16-21-19)15-17-10-8-7-9-11-17/h7-11,14,16H,3-6,12-13,15H2,1-2H3.
What are the key properties of 1-benzyl-N,N-dibutylpyrazolo[5,4-d]pyrimidin-4-amine?
1-benzyl-N,N-dibutylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 337.47 g/mol, XLogP of 4.28, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N,N-dibutylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 2270504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).