5-[(2-amino-6-chlorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

C13H12ClN5O — CID 63746275

IUPAC5-[(2-amino-6-chlorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)n(Cc3c(N)cccc3Cl)cnc21
InChIInChI=1S/C13H12ClN5O/c1-18-12-8(5-17-18)13(20)19(7-16-12)6-9-10(14)3-2-4-11(9)15/h2-5,7H,6,15H2,1H3
InChIKeyRAIXSILARSHUSM-UHFFFAOYSA-N
MW289.73 g/mol
LogP1.41
Rot. Bonds2

About 5-[(2-amino-6-chlorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

5-[(2-amino-6-chlorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 63746275) has the molecular formula C13H12ClN5O and a molecular weight of 289.73 g/mol. Its IUPAC name is 5-[(2-amino-6-chlorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(2-amino-6-chlorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID63746275
Molecular FormulaC13H12ClN5O
Molecular Weight289.73 g/mol
Exact Mass289.07
IUPAC Name5-[(2-amino-6-chlorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)n(Cc3c(N)cccc3Cl)cnc21
InChIInChI=1S/C13H12ClN5O/c1-18-12-8(5-17-18)13(20)19(7-16-12)6-9-10(14)3-2-4-11(9)15/h2-5,7H,6,15H2,1H3
InChIKeyRAIXSILARSHUSM-UHFFFAOYSA-N
XLogP1.41
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-6-chlorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[(2-amino-6-chlorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (CID 63746275) is 5-[(2-amino-6-chlorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(2-amino-6-chlorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[(2-amino-6-chlorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)n(Cc3c(N)cccc3Cl)cnc21.
What is the InChIKey of 5-[(2-amino-6-chlorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is RAIXSILARSHUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O/c1-18-12-8(5-17-18)13(20)19(7-16-12)6-9-10(14)3-2-4-11(9)15/h2-5,7H,6,15H2,1H3.
What are the key properties of 5-[(2-amino-6-chlorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
5-[(2-amino-6-chlorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 289.73 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-6-chlorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 63746275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).