5-(2-methoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

C14H14N4O2 — CID 135626439

IUPAC5-(2-methoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCOc1ccccc1-c1nc2c(C)nn(C)c2c(=O)[nH]1
InChIInChI=1S/C14H14N4O2/c1-8-11-12(18(2)17-8)14(19)16-13(15-11)9-6-4-5-7-10(9)20-3/h4-7H,1-3H3,(H,15,16,19)
InChIKeyJPIGRMGHGSXTLH-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.64
Rot. Bonds2

About 5-(2-methoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

5-(2-methoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 135626439) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID135626439
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name5-(2-methoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCOc1ccccc1-c1nc2c(C)nn(C)c2c(=O)[nH]1
InChIInChI=1S/C14H14N4O2/c1-8-11-12(18(2)17-8)14(19)16-13(15-11)9-6-4-5-7-10(9)20-3/h4-7H,1-3H3,(H,15,16,19)
InChIKeyJPIGRMGHGSXTLH-UHFFFAOYSA-N
XLogP1.64
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Sildenafil
CID 135398744
Gendenafil
CID 135559102
5-(2-Ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]-7-pyrimidinone
CID 135401477
Acetildenafil
CID 135566112
4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonamide
CID 135447056
UK-150564
CID 135539056
Morpholinoacetildenafil
CID 135487662
Propan-2-Yl {[4-Ethoxy-3-(1-Methyl-7-Oxo-3-Propyl-6,7-Dihydro-1h-Pyrazolo[4,3-D]pyrimidin-5-Yl)phenyl]sulfonyl}carbamate
CID 135566614
3-Methyl-6-(2-propoxy-phenyl)-1-propyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135503803
N-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]-acetamide
CID 135536802
4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxybenzamide
CID 136645438
N-tert-butyl-3-(3-tert-butyl-1-methyl-7-oxo-4H-pyrazolo[5,4-e]pyrimidin-5-yl)-4-ethoxybenzenesulfonamide
CID 135419200

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-(2-methoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 135626439) is 5-(2-methoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-(2-methoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-(2-methoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is COc1ccccc1-c1nc2c(C)nn(C)c2c(=O)[nH]1.
What is the InChIKey of 5-(2-methoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is JPIGRMGHGSXTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-8-11-12(18(2)17-8)14(19)16-13(15-11)9-6-4-5-7-10(9)20-3/h4-7H,1-3H3,(H,15,16,19).
What are the key properties of 5-(2-methoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
5-(2-methoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 270.29 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135626439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).