5-[(E)-benzylideneamino]-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one

C14H13N5O — CID 6877142

IUPAC5-[(E)-benzylideneamino]-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(cnn2C)c(=O)n1/N=C/c1ccccc1
InChIInChI=1S/C14H13N5O/c1-10-17-13-12(9-15-18(13)2)14(20)19(10)16-8-11-6-4-3-5-7-11/h3-9H,1-2H3/b16-8+
InChIKeyBPZHNTNWZOTRKZ-LZYBPNLTSA-N
MW267.29 g/mol
LogP1.32
Rot. Bonds2

About 5-[(E)-benzylideneamino]-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one

5-[(E)-benzylideneamino]-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 6877142) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-[(E)-benzylideneamino]-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(E)-benzylideneamino]-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID6877142
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name5-[(E)-benzylideneamino]-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(cnn2C)c(=O)n1/N=C/c1ccccc1
InChIInChI=1S/C14H13N5O/c1-10-17-13-12(9-15-18(13)2)14(20)19(10)16-8-11-6-4-3-5-7-11/h3-9H,1-2H3/b16-8+
InChIKeyBPZHNTNWZOTRKZ-LZYBPNLTSA-N
XLogP1.32
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 765405
2-methyl-3-(pyridin-3-ylmethylideneamino)quinazolin-4-one
CID 882703
3-[(E)-(4-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6863150
2-methyl-3-[(E)-(3-methylphenyl)methylideneamino]quinazolin-4-one
CID 6906270
3-[(Z)-benzylideneamino]-2-methyl-5H-pyrimido[5,4-b]indol-4-one
CID 5408888
3-[(3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 2593639
3-[(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 52915607
3-[(3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 2643412
2-methyl-3-[(Z)-(4-pentoxyphenyl)methylideneamino]quinazolin-4-one
CID 9239429
3-[(E)-(2-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6908041
3-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 2463847
6-bromo-3-[(3-fluorophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126305274

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-benzylideneamino]-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[(E)-benzylideneamino]-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one (CID 6877142) is 5-[(E)-benzylideneamino]-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(E)-benzylideneamino]-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[(E)-benzylideneamino]-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one is Cc1nc2c(cnn2C)c(=O)n1/N=C/c1ccccc1.
What is the InChIKey of 5-[(E)-benzylideneamino]-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is BPZHNTNWZOTRKZ-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H13N5O/c1-10-17-13-12(9-15-18(13)2)14(20)19(10)16-8-11-6-4-3-5-7-11/h3-9H,1-2H3/b16-8+.
What are the key properties of 5-[(E)-benzylideneamino]-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one?
5-[(E)-benzylideneamino]-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 267.29 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-benzylideneamino]-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 6877142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).