1-methyl-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine

C13H17N7 — CID 95278624

IUPAC1-methyl-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESC[C@@H](Nc1ncnc2c1cnn2C)[C@H](C)n1cccn1
InChIInChI=1S/C13H17N7/c1-9(10(2)20-6-4-5-16-20)18-12-11-7-17-19(3)13(11)15-8-14-12/h4-10H,1-3H3,(H,14,15,18)/t9-,10+/m1/s1
InChIKeyJONVZYFPIBGJQW-ZJUUUORDSA-N
MW271.33 g/mol
LogP1.62
Rot. Bonds4

About 1-methyl-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 95278624) has the molecular formula C13H17N7 and a molecular weight of 271.33 g/mol. Its IUPAC name is 1-methyl-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID95278624
Molecular FormulaC13H17N7
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name1-methyl-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESC[C@@H](Nc1ncnc2c1cnn2C)[C@H](C)n1cccn1
InChIInChI=1S/C13H17N7/c1-9(10(2)20-6-4-5-16-20)18-12-11-7-17-19(3)13(11)15-8-14-12/h4-10H,1-3H3,(H,14,15,18)/t9-,10+/m1/s1
InChIKeyJONVZYFPIBGJQW-ZJUUUORDSA-N
XLogP1.62
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 95278624) is 1-methyl-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine is C[C@@H](Nc1ncnc2c1cnn2C)[C@H](C)n1cccn1.
What is the InChIKey of 1-methyl-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is JONVZYFPIBGJQW-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H17N7/c1-9(10(2)20-6-4-5-16-20)18-12-11-7-17-19(3)13(11)15-8-14-12/h4-10H,1-3H3,(H,14,15,18)/t9-,10+/m1/s1.
What are the key properties of 1-methyl-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 271.33 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95278624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).