1-(dimethylamino)-3-(fluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C8H10FN5O — CID 140875029

IUPAC1-(dimethylamino)-3-(fluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCN(C)n1nc(CF)c2c(=O)[nH]cnc21
InChIInChI=1S/C8H10FN5O/c1-13(2)14-7-6(5(3-9)12-14)8(15)11-4-10-7/h4H,3H2,1-2H3,(H,10,11,15)
InChIKeyMTFIXWVUSQFICN-UHFFFAOYSA-N
MW211.20 g/mol
LogP-0.21
Rot. Bonds2

About 1-(dimethylamino)-3-(fluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-(dimethylamino)-3-(fluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 140875029) has the molecular formula C8H10FN5O and a molecular weight of 211.20 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(fluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(dimethylamino)-3-(fluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID140875029
Molecular FormulaC8H10FN5O
Molecular Weight211.20 g/mol
Exact Mass211.09
IUPAC Name1-(dimethylamino)-3-(fluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCN(C)n1nc(CF)c2c(=O)[nH]cnc21
InChIInChI=1S/C8H10FN5O/c1-13(2)14-7-6(5(3-9)12-14)8(15)11-4-10-7/h4H,3H2,1-2H3,(H,10,11,15)
InChIKeyMTFIXWVUSQFICN-UHFFFAOYSA-N
XLogP-0.21
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(fluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(dimethylamino)-3-(fluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 140875029) is 1-(dimethylamino)-3-(fluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(dimethylamino)-3-(fluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(dimethylamino)-3-(fluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CN(C)n1nc(CF)c2c(=O)[nH]cnc21.
What is the InChIKey of 1-(dimethylamino)-3-(fluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is MTFIXWVUSQFICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN5O/c1-13(2)14-7-6(5(3-9)12-14)8(15)11-4-10-7/h4H,3H2,1-2H3,(H,10,11,15).
What are the key properties of 1-(dimethylamino)-3-(fluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-(dimethylamino)-3-(fluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 211.20 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(fluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 140875029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).