6-chloro-N-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C9H10ClN5O — CID 178075729

IUPAC6-chloro-N-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(Cl)nc2c1cnn2C1COC1
InChIInChI=1S/C9H10ClN5O/c1-11-7-6-2-12-15(5-3-16-4-5)8(6)14-9(10)13-7/h2,5H,3-4H2,1H3,(H,11,13,14)
InChIKeyHCEBPDQAAIIDSN-UHFFFAOYSA-N
MW239.67 g/mol
LogP1.09
Rot. Bonds2

About 6-chloro-N-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine

6-chloro-N-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 178075729) has the molecular formula C9H10ClN5O and a molecular weight of 239.67 g/mol. Its IUPAC name is 6-chloro-N-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID178075729
Molecular FormulaC9H10ClN5O
Molecular Weight239.67 g/mol
Exact Mass239.06
IUPAC Name6-chloro-N-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(Cl)nc2c1cnn2C1COC1
InChIInChI=1S/C9H10ClN5O/c1-11-7-6-2-12-15(5-3-16-4-5)8(6)14-9(10)13-7/h2,5H,3-4H2,1H3,(H,11,13,14)
InChIKeyHCEBPDQAAIIDSN-UHFFFAOYSA-N
XLogP1.09
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.67
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopentyl-N,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 80725542
6-chloro-1-(2-ethylphenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 82460149
6-chloro-N-cyclopropyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 82460053
6-chloro-N-cyclopentyl-1-[5-(methylaminomethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 142587059
6-chloro-N-cyclohexyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 118518117
6-chloro-1-cyclopentyl-4-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine
CID 89449448
6-chloro-1-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 58345954
[(3aR,4R,6R,6aR)-4-[6-chloro-4-(cyclopropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 171158878
(2R,3R,4S,5R)-2-[6-chloro-4-[(1-methylcyclopentyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 167163196
methyl 1-methoxy-4-[1-(oxetan-3-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]cyclohexane-1-carboxylate
CID 168853534
4-chloro-1,6-dicyclopropylpyrazolo[5,4-d]pyrimidine
CID 170775892
6-chloro-1-cyclopropylpyrazolo[3,4-d]pyrimidine
CID 134607575

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 178075729) is 6-chloro-N-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine is CNc1nc(Cl)nc2c1cnn2C1COC1.
What is the InChIKey of 6-chloro-N-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is HCEBPDQAAIIDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5O/c1-11-7-6-2-12-15(5-3-16-4-5)8(6)14-9(10)13-7/h2,5H,3-4H2,1H3,(H,11,13,14).
What are the key properties of 6-chloro-N-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
6-chloro-N-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 239.67 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 178075729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).