3-amino-5-benzyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one

C13H13N5O — CID 110171162

IUPAC3-amino-5-benzyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1nc(N)c2c(=O)n(Cc3ccccc3)cnc21
InChIInChI=1S/C13H13N5O/c1-17-12-10(11(14)16-17)13(19)18(8-15-12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,14,16)
InChIKeyDRMALAQFEIDVGA-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.76
Rot. Bonds2

About 3-amino-5-benzyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one

3-amino-5-benzyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 110171162) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-amino-5-benzyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-5-benzyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID110171162
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name3-amino-5-benzyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1nc(N)c2c(=O)n(Cc3ccccc3)cnc21
InChIInChI=1S/C13H13N5O/c1-17-12-10(11(14)16-17)13(19)18(8-15-12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,14,16)
InChIKeyDRMALAQFEIDVGA-UHFFFAOYSA-N
XLogP0.76
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1-benzyl-5-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
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3-benzyl-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
CID 59823050
5-amino-1-benzylpyrido[4,3-d]pyrimidin-4-one
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7-benzyl-1-bromo-3-methylpurine-2,6-dione
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CID 561455
3-benzyl-6-methyl-5-propan-2-ylpyrimidin-4-one
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CID 3041753
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CID 11544137
7-amino-3-benzyl-6-bromoquinazolin-4-one
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CID 58192367
1-methyl-5-[(3-phenylmethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 47085998

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-benzyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-amino-5-benzyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one (CID 110171162) is 3-amino-5-benzyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-amino-5-benzyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-amino-5-benzyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one is Cn1nc(N)c2c(=O)n(Cc3ccccc3)cnc21.
What is the InChIKey of 3-amino-5-benzyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is DRMALAQFEIDVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-17-12-10(11(14)16-17)13(19)18(8-15-12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,14,16).
What are the key properties of 3-amino-5-benzyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
3-amino-5-benzyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 255.28 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-benzyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 110171162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).