1-methyl-5-[2-(methylamino)-2-phenylethyl]pyrazolo[5,4-d]pyrimidin-4-one

C15H17N5O — CID 63277108

IUPAC1-methyl-5-[2-(methylamino)-2-phenylethyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCNC(Cn1cnc2c(cnn2C)c1=O)c1ccccc1
InChIInChI=1S/C15H17N5O/c1-16-13(11-6-4-3-5-7-11)9-20-10-17-14-12(15(20)21)8-18-19(14)2/h3-8,10,13,16H,9H2,1-2H3
InChIKeyHASIAVOBCZNEPA-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.09
Rot. Bonds4

About 1-methyl-5-[2-(methylamino)-2-phenylethyl]pyrazolo[5,4-d]pyrimidin-4-one

1-methyl-5-[2-(methylamino)-2-phenylethyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 63277108) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 1-methyl-5-[2-(methylamino)-2-phenylethyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-5-[2-(methylamino)-2-phenylethyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID63277108
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name1-methyl-5-[2-(methylamino)-2-phenylethyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCNC(Cn1cnc2c(cnn2C)c1=O)c1ccccc1
InChIInChI=1S/C15H17N5O/c1-16-13(11-6-4-3-5-7-11)9-20-10-17-14-12(15(20)21)8-18-19(14)2/h3-8,10,13,16H,9H2,1-2H3
InChIKeyHASIAVOBCZNEPA-UHFFFAOYSA-N
XLogP1.09
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-(methylamino)-2-phenylethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-5-[2-(methylamino)-2-phenylethyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 63277108) is 1-methyl-5-[2-(methylamino)-2-phenylethyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-5-[2-(methylamino)-2-phenylethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-5-[2-(methylamino)-2-phenylethyl]pyrazolo[5,4-d]pyrimidin-4-one is CNC(Cn1cnc2c(cnn2C)c1=O)c1ccccc1.
What is the InChIKey of 1-methyl-5-[2-(methylamino)-2-phenylethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is HASIAVOBCZNEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-16-13(11-6-4-3-5-7-11)9-20-10-17-14-12(15(20)21)8-18-19(14)2/h3-8,10,13,16H,9H2,1-2H3.
What are the key properties of 1-methyl-5-[2-(methylamino)-2-phenylethyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-5-[2-(methylamino)-2-phenylethyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 283.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[2-(methylamino)-2-phenylethyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 63277108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).