1,6-dimethyl-4-[(2S)-2-phenylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine

C17H19N5 — CID 94521504

IUPAC1,6-dimethyl-4-[(2S)-2-phenylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCc1nc(N2CCC[C@H]2c2ccccc2)c2cnn(C)c2n1
InChIInChI=1S/C17H19N5/c1-12-19-16-14(11-18-21(16)2)17(20-12)22-10-6-9-15(22)13-7-4-3-5-8-13/h3-5,7-8,11,15H,6,9-10H2,1-2H3/t15-/m0/s1
InChIKeyKYZKPBZFUCJFDQ-HNNXBMFYSA-N
MW293.37 g/mol
LogP3.01
Rot. Bonds2

About 1,6-dimethyl-4-[(2S)-2-phenylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine

1,6-dimethyl-4-[(2S)-2-phenylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine (PubChem CID 94521504) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1,6-dimethyl-4-[(2S)-2-phenylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1,6-dimethyl-4-[(2S)-2-phenylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID94521504
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name1,6-dimethyl-4-[(2S)-2-phenylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCc1nc(N2CCC[C@H]2c2ccccc2)c2cnn(C)c2n1
InChIInChI=1S/C17H19N5/c1-12-19-16-14(11-18-21(16)2)17(20-12)22-10-6-9-15(22)13-7-4-3-5-8-13/h3-5,7-8,11,15H,6,9-10H2,1-2H3/t15-/m0/s1
InChIKeyKYZKPBZFUCJFDQ-HNNXBMFYSA-N
XLogP3.01
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-[(2S)-2-phenylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1,6-dimethyl-4-[(2S)-2-phenylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine (CID 94521504) is 1,6-dimethyl-4-[(2S)-2-phenylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1,6-dimethyl-4-[(2S)-2-phenylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1,6-dimethyl-4-[(2S)-2-phenylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine is Cc1nc(N2CCC[C@H]2c2ccccc2)c2cnn(C)c2n1.
What is the InChIKey of 1,6-dimethyl-4-[(2S)-2-phenylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is KYZKPBZFUCJFDQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N5/c1-12-19-16-14(11-18-21(16)2)17(20-12)22-10-6-9-15(22)13-7-4-3-5-8-13/h3-5,7-8,11,15H,6,9-10H2,1-2H3/t15-/m0/s1.
What are the key properties of 1,6-dimethyl-4-[(2S)-2-phenylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine?
1,6-dimethyl-4-[(2S)-2-phenylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 293.37 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-[(2S)-2-phenylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 94521504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).