6-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C15H17N5O2 — CID 137261772

IUPAC6-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccccc1OCCN(C)c1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C15H17N5O2/c1-10-5-3-4-6-12(10)22-8-7-20(2)15-17-13-11(9-16-19-13)14(21)18-15/h3-6,9H,7-8H2,1-2H3,(H2,16,17,18,19,21)
InChIKeyDAUNPRYYDLVXQS-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.47
Rot. Bonds5

About 6-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137261772) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 6-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137261772
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name6-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccccc1OCCN(C)c1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C15H17N5O2/c1-10-5-3-4-6-12(10)22-8-7-20(2)15-17-13-11(9-16-19-13)14(21)18-15/h3-6,9H,7-8H2,1-2H3,(H2,16,17,18,19,21)
InChIKeyDAUNPRYYDLVXQS-UHFFFAOYSA-N
XLogP1.47
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 137261772) is 6-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is Cc1ccccc1OCCN(C)c1nc2[nH]ncc2c(=O)[nH]1.
What is the InChIKey of 6-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is DAUNPRYYDLVXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-10-5-3-4-6-12(10)22-8-7-20(2)15-17-13-11(9-16-19-13)14(21)18-15/h3-6,9H,7-8H2,1-2H3,(H2,16,17,18,19,21).
What are the key properties of 6-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 299.33 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137261772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).