6-(2-propoxyphenyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C14H14N4O2 — CID 135456702

IUPAC6-(2-propoxyphenyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCOc1ccccc1-c1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C14H14N4O2/c1-2-7-20-11-6-4-3-5-9(11)12-16-13-10(8-15-18-13)14(19)17-12/h3-6,8H,2,7H2,1H3,(H2,15,16,17,18,19)
InChIKeyIYGMTQNYBNTEGD-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.10
Rot. Bonds4

About 6-(2-propoxyphenyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-(2-propoxyphenyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135456702) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 6-(2-propoxyphenyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(2-propoxyphenyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135456702
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name6-(2-propoxyphenyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCOc1ccccc1-c1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C14H14N4O2/c1-2-7-20-11-6-4-3-5-9(11)12-16-13-10(8-15-18-13)14(19)17-12/h3-6,8H,2,7H2,1H3,(H2,15,16,17,18,19)
InChIKeyIYGMTQNYBNTEGD-UHFFFAOYSA-N
XLogP2.10
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydrazinyl-7-(2-propoxyphenyl)-6H-pyrimido[4,5-d]pyrimidin-5-one
CID 135670787
2-(2-propoxyphenyl)-3H-pteridin-4-one
CID 135670793
3-(methylamino)-6-(2-propoxyphenyl)-7H-pyrimido[4,5-e][1,2,4]triazin-8-one
CID 135670774
4-(2-propoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 104663115
6-(2-propoxyphenyl)-7H-pyrimido[5,4-d]pyrimidin-8-one
CID 135559157
ethyl 3-[[5-oxo-7-(2-propoxyphenyl)-6H-pyrimido[4,5-d]pyrimidin-2-yl]amino]propanoate
CID 135670771
6-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 137261772
N-[6-oxo-2-(2-propoxyphenyl)-1H-pyrimidin-4-yl]propanamide
CID 135482146
2-(2-ethoxyphenyl)-8-methoxy-3H-quinazolin-4-one
CID 135966513
2-(2-propoxyphenyl)-4-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one
CID 135845406
8-(4-hydroxynonan-3-yl)-2-(2-propoxyphenyl)-3H-quinazolin-4-one
CID 135494406
2-methoxy-6-(2-propoxyphenyl)-1H-1,3,5-triazine-4-thione
CID 106521583

Frequently Asked Questions

What is the IUPAC name of 6-(2-propoxyphenyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(2-propoxyphenyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 135456702) is 6-(2-propoxyphenyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(2-propoxyphenyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(2-propoxyphenyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is CCCOc1ccccc1-c1nc2[nH]ncc2c(=O)[nH]1.
What is the InChIKey of 6-(2-propoxyphenyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is IYGMTQNYBNTEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-2-7-20-11-6-4-3-5-9(11)12-16-13-10(8-15-18-13)14(19)17-12/h3-6,8H,2,7H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 6-(2-propoxyphenyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-(2-propoxyphenyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 270.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-propoxyphenyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135456702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).