5-fluoro-4-methyl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one

C11H13FN4O — CID 136996688

IUPAC5-fluoro-4-methyl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCc1nc(-c2cnn(C(C)C)c2)[nH]c(=O)c1F
InChIInChI=1S/C11H13FN4O/c1-6(2)16-5-8(4-13-16)10-14-7(3)9(12)11(17)15-10/h4-6H,1-3H3,(H,14,15,17)
InChIKeyNKOZISBOKXTMNX-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.66
Rot. Bonds2

About 5-fluoro-4-methyl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one

5-fluoro-4-methyl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 136996688) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is 5-fluoro-4-methyl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-4-methyl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one
PubChem CID136996688
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC Name5-fluoro-4-methyl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCc1nc(-c2cnn(C(C)C)c2)[nH]c(=O)c1F
InChIInChI=1S/C11H13FN4O/c1-6(2)16-5-8(4-13-16)10-14-7(3)9(12)11(17)15-10/h4-6H,1-3H3,(H,14,15,17)
InChIKeyNKOZISBOKXTMNX-UHFFFAOYSA-N
XLogP1.66
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-4-methyl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one (CID 136996688) is 5-fluoro-4-methyl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-4-methyl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-4-methyl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one is Cc1nc(-c2cnn(C(C)C)c2)[nH]c(=O)c1F.
What is the InChIKey of 5-fluoro-4-methyl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is NKOZISBOKXTMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O/c1-6(2)16-5-8(4-13-16)10-14-7(3)9(12)11(17)15-10/h4-6H,1-3H3,(H,14,15,17).
What are the key properties of 5-fluoro-4-methyl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one?
5-fluoro-4-methyl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 236.25 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136996688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).