4-[2-(3-methylbutyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine

C14H21N5 — CID 133376968

IUPAC4-[2-(3-methylbutyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
SMILESCC(C)CCC1CCCN1c1ncnc2[nH]ncc12
InChIInChI=1S/C14H21N5/c1-10(2)5-6-11-4-3-7-19(11)14-12-8-17-18-13(12)15-9-16-14/h8-11H,3-7H2,1-2H3,(H,15,16,17,18)
InChIKeyZMSFPGLXVMECDX-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.76
Rot. Bonds4

About 4-[2-(3-methylbutyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine

4-[2-(3-methylbutyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 133376968) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 4-[2-(3-methylbutyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[2-(3-methylbutyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID133376968
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name4-[2-(3-methylbutyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
SMILESCC(C)CCC1CCCN1c1ncnc2[nH]ncc12
InChIInChI=1S/C14H21N5/c1-10(2)5-6-11-4-3-7-19(11)14-12-8-17-18-13(12)15-9-16-14/h8-11H,3-7H2,1-2H3,(H,15,16,17,18)
InChIKeyZMSFPGLXVMECDX-UHFFFAOYSA-N
XLogP2.76
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 178104944
1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 84818658
4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 138019722
methyl 2-[4-[(2S)-2-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]acetate
CID 96542169
4-(2-azabicyclo[2.2.1]heptan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 133269772
4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 131087765
3-bromo-1-methyl-4-[2-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 71851221
6-chloro-4-(2-propylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 83056224
2,3-dimethyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)thiomorpholine
CID 133309259
3-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 178107069
4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 71862723
4-(3-methylsulfanylazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 133395111

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methylbutyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[2-(3-methylbutyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine (CID 133376968) is 4-[2-(3-methylbutyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[2-(3-methylbutyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[2-(3-methylbutyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine is CC(C)CCC1CCCN1c1ncnc2[nH]ncc12.
What is the InChIKey of 4-[2-(3-methylbutyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is ZMSFPGLXVMECDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-10(2)5-6-11-4-3-7-19(11)14-12-8-17-18-13(12)15-9-16-14/h8-11H,3-7H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-[2-(3-methylbutyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
4-[2-(3-methylbutyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 259.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methylbutyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 133376968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).