4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine

C9H11N5 — CID 178104944

IUPAC4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
SMILESCC1CCN1c1ncnc2[nH]ncc12
InChIInChI=1S/C9H11N5/c1-6-2-3-14(6)9-7-4-12-13-8(7)10-5-11-9/h4-6H,2-3H2,1H3,(H,10,11,12,13)
InChIKeyURQUSDHSKLNHGK-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.95
Rot. Bonds1

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

4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 178104944) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID178104944
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
SMILESCC1CCN1c1ncnc2[nH]ncc12
InChIInChI=1S/C9H11N5/c1-6-2-3-14(6)9-7-4-12-13-8(7)10-5-11-9/h4-6H,2-3H2,1H3,(H,10,11,12,13)
InChIKeyURQUSDHSKLNHGK-UHFFFAOYSA-N
XLogP0.95
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)thiomorpholine
CID 133309259
4-(2-azabicyclo[2.2.1]heptan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 133269772
3-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 178107069
4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 131087765
1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 84818658
4-[2-(3-methylbutyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 133376968
4-(3-methylsulfanylazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 133395111
4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 138019722
5-chloro-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine
CID 163344597
4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 138511220
1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 84818655
4-(2-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 67251949

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine (CID 178104944) is 4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine is CC1CCN1c1ncnc2[nH]ncc12.
What is the InChIKey of 4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is URQUSDHSKLNHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-6-2-3-14(6)9-7-4-12-13-8(7)10-5-11-9/h4-6H,2-3H2,1H3,(H,10,11,12,13).
What are the key properties of 4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine?
4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 189.22 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 178104944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).