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

C15H16N4O2 — CID 135433645

IUPAC5-(2-ethoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCOc1ccccc1-c1nc2c(C)nn(C)c2c(=O)[nH]1
InChIInChI=1S/C15H16N4O2/c1-4-21-11-8-6-5-7-10(11)14-16-12-9(2)18-19(3)13(12)15(20)17-14/h5-8H,4H2,1-3H3,(H,16,17,20)
InChIKeySRVVOQVTSUQJCP-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.03
Rot. Bonds3

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

5-(2-ethoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 135433645) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-(2-ethoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-(2-ethoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID135433645
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name5-(2-ethoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCOc1ccccc1-c1nc2c(C)nn(C)c2c(=O)[nH]1
InChIInChI=1S/C15H16N4O2/c1-4-21-11-8-6-5-7-10(11)14-16-12-9(2)18-19(3)13(12)15(20)17-14/h5-8H,4H2,1-3H3,(H,16,17,20)
InChIKeySRVVOQVTSUQJCP-UHFFFAOYSA-N
XLogP2.03
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Gendenafil
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CID 135401477
Lodenafil
CID 135452901
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
Homosildenafil
CID 135565273
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

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-(2-ethoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 135433645) is 5-(2-ethoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-(2-ethoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-(2-ethoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is CCOc1ccccc1-c1nc2c(C)nn(C)c2c(=O)[nH]1.
What is the InChIKey of 5-(2-ethoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is SRVVOQVTSUQJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-4-21-11-8-6-5-7-10(11)14-16-12-9(2)18-19(3)13(12)15(20)17-14/h5-8H,4H2,1-3H3,(H,16,17,20).
What are the key properties of 5-(2-ethoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
5-(2-ethoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 284.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135433645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).