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

C16H18N4O2 — CID 135529725

IUPAC1,3-dimethyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCOc1ccccc1-c1nc2c(c(C)nn2C)c(=O)[nH]1
InChIInChI=1S/C16H18N4O2/c1-4-9-22-12-8-6-5-7-11(12)14-17-15-13(16(21)18-14)10(2)19-20(15)3/h5-8H,4,9H2,1-3H3,(H,17,18,21)
InChIKeyVINYAOVGJDEGTH-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.42
Rot. Bonds4

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

1,3-dimethyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135529725) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1,3-dimethyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1,3-dimethyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135529725
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1,3-dimethyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCOc1ccccc1-c1nc2c(c(C)nn2C)c(=O)[nH]1
InChIInChI=1S/C16H18N4O2/c1-4-9-22-12-8-6-5-7-11(12)14-17-15-13(16(21)18-14)10(2)19-20(15)3/h5-8H,4,9H2,1-3H3,(H,17,18,21)
InChIKeyVINYAOVGJDEGTH-UHFFFAOYSA-N
XLogP2.42
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Gendenafil
CID 135559102
5-(2-Ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]-7-pyrimidinone
CID 135401477
1-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]-3-(4-fluoro-phenyl)-urea
CID 135423938
3-Methyl-6-(2-propoxy-phenyl)-1-propyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135503803
1-Ethyl-3-methyl-6-(5-nitro-2-propoxy-phenyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135513951
[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]-thiourea
CID 135513970
N-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]-acetamide
CID 135536802
1,3-Dimethyl-6-(5-nitro-2-propoxy-phenyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135536783
6-(2-Ethoxy-phenyl)-3-methyl-1-propyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 136132276
N-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]-4-fluoro-benzamide
CID 135406502
6-(5-Dimethylamino-2-propoxy-phenyl)-1,3-dimethyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135419269
3-Methyl-6-(2-propoxy-phenyl)-1-(2,2,2-trifluoro-ethyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135419318

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1,3-dimethyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135529725) is 1,3-dimethyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1,3-dimethyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1,3-dimethyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCCOc1ccccc1-c1nc2c(c(C)nn2C)c(=O)[nH]1.
What is the InChIKey of 1,3-dimethyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is VINYAOVGJDEGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-4-9-22-12-8-6-5-7-11(12)14-17-15-13(16(21)18-14)10(2)19-20(15)3/h5-8H,4,9H2,1-3H3,(H,17,18,21).
What are the key properties of 1,3-dimethyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1,3-dimethyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 298.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(2-propoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135529725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).