1-[(2S)-3,3-dimethylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine

C11H17N5 — CID 66615504

IUPAC1-[(2S)-3,3-dimethylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESC[C@H](n1ncc2c(N)ncnc21)C(C)(C)C
InChIInChI=1S/C11H17N5/c1-7(11(2,3)4)16-10-8(5-15-16)9(12)13-6-14-10/h5-7H,1-4H3,(H2,12,13,14)/t7-/m0/s1
InChIKeyRIGKTUHXNUQCGG-ZETCQYMHSA-N
MW219.29 g/mol
LogP2.02
Rot. Bonds1

About 1-[(2S)-3,3-dimethylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine

1-[(2S)-3,3-dimethylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 66615504) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-[(2S)-3,3-dimethylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-[(2S)-3,3-dimethylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID66615504
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name1-[(2S)-3,3-dimethylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESC[C@H](n1ncc2c(N)ncnc21)C(C)(C)C
InChIInChI=1S/C11H17N5/c1-7(11(2,3)4)16-10-8(5-15-16)9(12)13-6-14-10/h5-7H,1-4H3,(H2,12,13,14)/t7-/m0/s1
InChIKeyRIGKTUHXNUQCGG-ZETCQYMHSA-N
XLogP2.02
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3,3-dimethylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-[(2S)-3,3-dimethylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 66615504) is 1-[(2S)-3,3-dimethylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-[(2S)-3,3-dimethylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-[(2S)-3,3-dimethylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine is C[C@H](n1ncc2c(N)ncnc21)C(C)(C)C.
What is the InChIKey of 1-[(2S)-3,3-dimethylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is RIGKTUHXNUQCGG-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H17N5/c1-7(11(2,3)4)16-10-8(5-15-16)9(12)13-6-14-10/h5-7H,1-4H3,(H2,12,13,14)/t7-/m0/s1.
What are the key properties of 1-[(2S)-3,3-dimethylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-[(2S)-3,3-dimethylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 219.29 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3,3-dimethylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 66615504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).