6-[2-methoxyethyl(methyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C15H17N5O2 — CID 136991265

IUPAC6-[2-methoxyethyl(methyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOCCN(C)c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C15H17N5O2/c1-19(8-9-22-2)15-17-13-12(14(21)18-15)10-16-20(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,17,18,21)
InChIKeyWOGQPYCSKRXRHZ-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.19
Rot. Bonds5

About 6-[2-methoxyethyl(methyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[2-methoxyethyl(methyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136991265) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 6-[2-methoxyethyl(methyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[2-methoxyethyl(methyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136991265
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name6-[2-methoxyethyl(methyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOCCN(C)c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C15H17N5O2/c1-19(8-9-22-2)15-17-13-12(14(21)18-15)10-16-20(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,17,18,21)
InChIKeyWOGQPYCSKRXRHZ-UHFFFAOYSA-N
XLogP1.19
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-methoxyethyl(methyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[2-methoxyethyl(methyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136991265) is 6-[2-methoxyethyl(methyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[2-methoxyethyl(methyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[2-methoxyethyl(methyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is COCCN(C)c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 6-[2-methoxyethyl(methyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is WOGQPYCSKRXRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-19(8-9-22-2)15-17-13-12(14(21)18-15)10-16-20(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,17,18,21).
What are the key properties of 6-[2-methoxyethyl(methyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[2-methoxyethyl(methyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 299.33 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methoxyethyl(methyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136991265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).