5-[4-(3,3-dimethylpyrrolidin-1-yl)pyrazolo[3,4-d]pyrimidin-2-yl]-1H-pyrimidine-2,4-dione

C15H17N7O2 — CID 170606683

IUPAC5-[4-(3,3-dimethylpyrrolidin-1-yl)pyrazolo[3,4-d]pyrimidin-2-yl]-1H-pyrimidine-2,4-dione
SMILESCC1(C)CCN(c2ncnc3nn(-c4c[nH]c(=O)[nH]c4=O)cc23)C1
InChIInChI=1S/C15H17N7O2/c1-15(2)3-4-21(7-15)12-9-6-22(20-11(9)17-8-18-12)10-5-16-14(24)19-13(10)23/h5-6,8H,3-4,7H2,1-2H3,(H2,16,19,23,24)
InChIKeyOYQCIGPFXOGAJW-UHFFFAOYSA-N
MW327.35 g/mol
LogP0.43
Rot. Bonds2

About 5-[4-(3,3-dimethylpyrrolidin-1-yl)pyrazolo[3,4-d]pyrimidin-2-yl]-1H-pyrimidine-2,4-dione

5-[4-(3,3-dimethylpyrrolidin-1-yl)pyrazolo[3,4-d]pyrimidin-2-yl]-1H-pyrimidine-2,4-dione (PubChem CID 170606683) has the molecular formula C15H17N7O2 and a molecular weight of 327.35 g/mol. Its IUPAC name is 5-[4-(3,3-dimethylpyrrolidin-1-yl)pyrazolo[3,4-d]pyrimidin-2-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(3,3-dimethylpyrrolidin-1-yl)pyrazolo[3,4-d]pyrimidin-2-yl]-1H-pyrimidine-2,4-dione
PubChem CID170606683
Molecular FormulaC15H17N7O2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Name5-[4-(3,3-dimethylpyrrolidin-1-yl)pyrazolo[3,4-d]pyrimidin-2-yl]-1H-pyrimidine-2,4-dione
SMILESCC1(C)CCN(c2ncnc3nn(-c4c[nH]c(=O)[nH]c4=O)cc23)C1
InChIInChI=1S/C15H17N7O2/c1-15(2)3-4-21(7-15)12-9-6-22(20-11(9)17-8-18-12)10-5-16-14(24)19-13(10)23/h5-6,8H,3-4,7H2,1-2H3,(H2,16,19,23,24)
InChIKeyOYQCIGPFXOGAJW-UHFFFAOYSA-N
XLogP0.43
TPSA112.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,3-dimethylpyrrolidin-1-yl)pyrazolo[3,4-d]pyrimidin-2-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[4-(3,3-dimethylpyrrolidin-1-yl)pyrazolo[3,4-d]pyrimidin-2-yl]-1H-pyrimidine-2,4-dione (CID 170606683) is 5-[4-(3,3-dimethylpyrrolidin-1-yl)pyrazolo[3,4-d]pyrimidin-2-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-(3,3-dimethylpyrrolidin-1-yl)pyrazolo[3,4-d]pyrimidin-2-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[4-(3,3-dimethylpyrrolidin-1-yl)pyrazolo[3,4-d]pyrimidin-2-yl]-1H-pyrimidine-2,4-dione is CC1(C)CCN(c2ncnc3nn(-c4c[nH]c(=O)[nH]c4=O)cc23)C1.
What is the InChIKey of 5-[4-(3,3-dimethylpyrrolidin-1-yl)pyrazolo[3,4-d]pyrimidin-2-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is OYQCIGPFXOGAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O2/c1-15(2)3-4-21(7-15)12-9-6-22(20-11(9)17-8-18-12)10-5-16-14(24)19-13(10)23/h5-6,8H,3-4,7H2,1-2H3,(H2,16,19,23,24).
What are the key properties of 5-[4-(3,3-dimethylpyrrolidin-1-yl)pyrazolo[3,4-d]pyrimidin-2-yl]-1H-pyrimidine-2,4-dione?
5-[4-(3,3-dimethylpyrrolidin-1-yl)pyrazolo[3,4-d]pyrimidin-2-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 327.35 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,3-dimethylpyrrolidin-1-yl)pyrazolo[3,4-d]pyrimidin-2-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 170606683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).