4-(fluoromethyl)-2,5-dimethyl-1H-pyrimidin-6-one

C7H9FN2O — CID 165348257

IUPAC4-(fluoromethyl)-2,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(CF)c(C)c(=O)[nH]1
InChIInChI=1S/C7H9FN2O/c1-4-6(3-8)9-5(2)10-7(4)11/h3H2,1-2H3,(H,9,10,11)
InChIKeyNREVKCABLDFSCC-UHFFFAOYSA-N
MW156.16 g/mol
LogP0.86
Rot. Bonds1

About 4-(fluoromethyl)-2,5-dimethyl-1H-pyrimidin-6-one

4-(fluoromethyl)-2,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 165348257) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 4-(fluoromethyl)-2,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(fluoromethyl)-2,5-dimethyl-1H-pyrimidin-6-one
PubChem CID165348257
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name4-(fluoromethyl)-2,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(CF)c(C)c(=O)[nH]1
InChIInChI=1S/C7H9FN2O/c1-4-6(3-8)9-5(2)10-7(4)11/h3H2,1-2H3,(H,9,10,11)
InChIKeyNREVKCABLDFSCC-UHFFFAOYSA-N
XLogP0.86
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-2,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(fluoromethyl)-2,5-dimethyl-1H-pyrimidin-6-one (CID 165348257) is 4-(fluoromethyl)-2,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(fluoromethyl)-2,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(fluoromethyl)-2,5-dimethyl-1H-pyrimidin-6-one is Cc1nc(CF)c(C)c(=O)[nH]1.
What is the InChIKey of 4-(fluoromethyl)-2,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is NREVKCABLDFSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c1-4-6(3-8)9-5(2)10-7(4)11/h3H2,1-2H3,(H,9,10,11).
What are the key properties of 4-(fluoromethyl)-2,5-dimethyl-1H-pyrimidin-6-one?
4-(fluoromethyl)-2,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 156.16 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-2,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 165348257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).