5-[4-(ethylamino)butyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

C12H19N5O — CID 55088277

IUPAC5-[4-(ethylamino)butyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCNCCCCn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C12H19N5O/c1-3-13-6-4-5-7-17-9-14-11-10(12(17)18)8-15-16(11)2/h8-9,13H,3-7H2,1-2H3
InChIKeyCDONACNWLRLNFF-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.52
Rot. Bonds6

About 5-[4-(ethylamino)butyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

5-[4-(ethylamino)butyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 55088277) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 5-[4-(ethylamino)butyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[4-(ethylamino)butyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID55088277
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name5-[4-(ethylamino)butyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCNCCCCn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C12H19N5O/c1-3-13-6-4-5-7-17-9-14-11-10(12(17)18)8-15-16(11)2/h8-9,13H,3-7H2,1-2H3
InChIKeyCDONACNWLRLNFF-UHFFFAOYSA-N
XLogP0.52
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-5-pentylpyrazolo[5,4-d]pyrimidin-4-one
CID 163346905
5-[2-(butylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 62565634
5-(4-bromobutyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 63277468
1-methyl-5-[5-(propylamino)hexyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 63277018
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetohydrazide
CID 19616734
ethyl 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoate
CID 43423148
N-ethyl-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 134063303
1-methyl-5-[3-(methylamino)butyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 63277513
1-methyl-5-[2-[(5-methylthiophen-2-yl)methylamino]ethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 62565244
5-[2-(ethylamino)-3-methoxypropyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 107506237
4-(4,5-dimethylimidazol-1-yl)-N-ethylbutan-1-amine
CID 62442961
5-[2-(4-chloroanilino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 62566016

Frequently Asked Questions

What is the IUPAC name of 5-[4-(ethylamino)butyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[4-(ethylamino)butyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (CID 55088277) is 5-[4-(ethylamino)butyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[4-(ethylamino)butyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[4-(ethylamino)butyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is CCNCCCCn1cnc2c(cnn2C)c1=O.
What is the InChIKey of 5-[4-(ethylamino)butyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is CDONACNWLRLNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-3-13-6-4-5-7-17-9-14-11-10(12(17)18)8-15-16(11)2/h8-9,13H,3-7H2,1-2H3.
What are the key properties of 5-[4-(ethylamino)butyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
5-[4-(ethylamino)butyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 249.32 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(ethylamino)butyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 55088277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).