1-(2-aminoethyl)-5-[(3-bromophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one

C14H14BrN5O — CID 97036266

IUPAC1-(2-aminoethyl)-5-[(3-bromophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESNCCn1ncc2c(=O)n(Cc3cccc(Br)c3)cnc21
InChIInChI=1S/C14H14BrN5O/c15-11-3-1-2-10(6-11)8-19-9-17-13-12(14(19)21)7-18-20(13)5-4-16/h1-3,6-7,9H,4-5,8,16H2
InChIKeyOYDONWJLKDGQMS-UHFFFAOYSA-N
MW348.20 g/mol
LogP1.36
Rot. Bonds4

About 1-(2-aminoethyl)-5-[(3-bromophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one

1-(2-aminoethyl)-5-[(3-bromophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 97036266) has the molecular formula C14H14BrN5O and a molecular weight of 348.20 g/mol. Its IUPAC name is 1-(2-aminoethyl)-5-[(3-bromophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-5-[(3-bromophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID97036266
Molecular FormulaC14H14BrN5O
Molecular Weight348.20 g/mol
Exact Mass347.04
IUPAC Name1-(2-aminoethyl)-5-[(3-bromophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESNCCn1ncc2c(=O)n(Cc3cccc(Br)c3)cnc21
InChIInChI=1S/C14H14BrN5O/c15-11-3-1-2-10(6-11)8-19-9-17-13-12(14(19)21)7-18-20(13)5-4-16/h1-3,6-7,9H,4-5,8,16H2
InChIKeyOYDONWJLKDGQMS-UHFFFAOYSA-N
XLogP1.36
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-aminoethyl)-5-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 97036262
1-(2-aminoethyl)-5-propylpyrazolo[5,4-d]pyrimidin-4-one
CID 97036259
5-[(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7422939
2,2-dimethyl-N-[2-[5-[(3-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]propanamide
CID 42391944
2-(4-chlorophenyl)-N-[2-[5-[(3-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide
CID 40908342
3,5-dimethyl-N-[2-[5-[(3-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]benzamide
CID 42391960
4-methyl-N-[2-[5-[(3-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]benzamide
CID 42391959
3-benzyl-7-bromoquinazolin-4-one
CID 23158166
N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopropanecarboxamide
CID 40908753
N-[2-[5-[(4-bromophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-1-carboxamide
CID 42391079
1-(3-chlorophenyl)-5-[(3-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 7243768
N-[2-[5-[(3-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-propylpentanamide
CID 42391127

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-5-[(3-bromophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(2-aminoethyl)-5-[(3-bromophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 97036266) is 1-(2-aminoethyl)-5-[(3-bromophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(2-aminoethyl)-5-[(3-bromophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(2-aminoethyl)-5-[(3-bromophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one is NCCn1ncc2c(=O)n(Cc3cccc(Br)c3)cnc21.
What is the InChIKey of 1-(2-aminoethyl)-5-[(3-bromophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is OYDONWJLKDGQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5O/c15-11-3-1-2-10(6-11)8-19-9-17-13-12(14(19)21)7-18-20(13)5-4-16/h1-3,6-7,9H,4-5,8,16H2.
What are the key properties of 1-(2-aminoethyl)-5-[(3-bromophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-(2-aminoethyl)-5-[(3-bromophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 348.20 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-5-[(3-bromophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 97036266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).