3-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylimidazolidine-2,4-dione

C11H11ClN6O2 — CID 63220153

IUPAC3-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(Cc2nc(Cl)c3cnn(C)c3n2)C1=O
InChIInChI=1S/C11H11ClN6O2/c1-16-5-8(19)18(11(16)20)4-7-14-9(12)6-3-13-17(2)10(6)15-7/h3H,4-5H2,1-2H3
InChIKeyWTIUBIZRRQDSLP-UHFFFAOYSA-N
MW294.70 g/mol
LogP0.41
Rot. Bonds2

About 3-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylimidazolidine-2,4-dione

3-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylimidazolidine-2,4-dione (PubChem CID 63220153) has the molecular formula C11H11ClN6O2 and a molecular weight of 294.70 g/mol. Its IUPAC name is 3-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylimidazolidine-2,4-dione
PubChem CID63220153
Molecular FormulaC11H11ClN6O2
Molecular Weight294.70 g/mol
Exact Mass294.06
IUPAC Name3-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(Cc2nc(Cl)c3cnn(C)c3n2)C1=O
InChIInChI=1S/C11H11ClN6O2/c1-16-5-8(19)18(11(16)20)4-7-14-9(12)6-3-13-17(2)10(6)15-7/h3H,4-5H2,1-2H3
InChIKeyWTIUBIZRRQDSLP-UHFFFAOYSA-N
XLogP0.41
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylimidazolidine-2,4-dione (CID 63220153) is 3-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylimidazolidine-2,4-dione is CN1CC(=O)N(Cc2nc(Cl)c3cnn(C)c3n2)C1=O.
What is the InChIKey of 3-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is WTIUBIZRRQDSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN6O2/c1-16-5-8(19)18(11(16)20)4-7-14-9(12)6-3-13-17(2)10(6)15-7/h3H,4-5H2,1-2H3.
What are the key properties of 3-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylimidazolidine-2,4-dione?
3-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 294.70 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 63220153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).