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

C16H18N4O2 — CID 135536718

IUPAC1,3-dimethyl-6-(2-propan-2-yloxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nn(C)c2nc(-c3ccccc3OC(C)C)[nH]c(=O)c12
InChIInChI=1S/C16H18N4O2/c1-9(2)22-12-8-6-5-7-11(12)14-17-15-13(16(21)18-14)10(3)19-20(15)4/h5-9H,1-4H3,(H,17,18,21)
InChIKeyGNKQNWNFIFCRDE-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.42
Rot. Bonds3

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

1,3-dimethyl-6-(2-propan-2-yloxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135536718) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1,3-dimethyl-6-(2-propan-2-yloxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1,3-dimethyl-6-(2-propan-2-yloxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135536718
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1,3-dimethyl-6-(2-propan-2-yloxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nn(C)c2nc(-c3ccccc3OC(C)C)[nH]c(=O)c12
InChIInChI=1S/C16H18N4O2/c1-9(2)22-12-8-6-5-7-11(12)14-17-15-13(16(21)18-14)10(3)19-20(15)4/h5-9H,1-4H3,(H,17,18,21)
InChIKeyGNKQNWNFIFCRDE-UHFFFAOYSA-N
XLogP2.42
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(2-propan-2-yloxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1,3-dimethyl-6-(2-propan-2-yloxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135536718) is 1,3-dimethyl-6-(2-propan-2-yloxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1,3-dimethyl-6-(2-propan-2-yloxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1,3-dimethyl-6-(2-propan-2-yloxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1nn(C)c2nc(-c3ccccc3OC(C)C)[nH]c(=O)c12.
What is the InChIKey of 1,3-dimethyl-6-(2-propan-2-yloxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is GNKQNWNFIFCRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-9(2)22-12-8-6-5-7-11(12)14-17-15-13(16(21)18-14)10(3)19-20(15)4/h5-9H,1-4H3,(H,17,18,21).
What are the key properties of 1,3-dimethyl-6-(2-propan-2-yloxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1,3-dimethyl-6-(2-propan-2-yloxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 298.35 g/mol, XLogP of 2.42, 3 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-propan-2-yloxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135536718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).