1-methyl-5-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-one

C13H19N5O2 — CID 104747686

IUPAC1-methyl-5-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCNC(Cn1cnc2c(cnn2C)c1=O)C1CCOC1
InChIInChI=1S/C13H19N5O2/c1-14-11(9-3-4-20-7-9)6-18-8-15-12-10(13(18)19)5-16-17(12)2/h5,8-9,11,14H,3-4,6-7H2,1-2H3
InChIKeyVJDUSXZMWREDPZ-UHFFFAOYSA-N
MW277.33 g/mol
LogP-0.25
Rot. Bonds4

About 1-methyl-5-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-one

1-methyl-5-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 104747686) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-methyl-5-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-5-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID104747686
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name1-methyl-5-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCNC(Cn1cnc2c(cnn2C)c1=O)C1CCOC1
InChIInChI=1S/C13H19N5O2/c1-14-11(9-3-4-20-7-9)6-18-8-15-12-10(13(18)19)5-16-17(12)2/h5,8-9,11,14H,3-4,6-7H2,1-2H3
InChIKeyVJDUSXZMWREDPZ-UHFFFAOYSA-N
XLogP-0.25
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-5-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 104747686) is 1-methyl-5-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-5-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-5-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-one is CNC(Cn1cnc2c(cnn2C)c1=O)C1CCOC1.
What is the InChIKey of 1-methyl-5-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is VJDUSXZMWREDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-14-11(9-3-4-20-7-9)6-18-8-15-12-10(13(18)19)5-16-17(12)2/h5,8-9,11,14H,3-4,6-7H2,1-2H3.
What are the key properties of 1-methyl-5-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-5-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 277.33 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 104747686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).