4-(2,4-difluorophenyl)-5-methyl-1H-pyrimidin-6-one

C11H8F2N2O — CID 136692598

IUPAC4-(2,4-difluorophenyl)-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(-c2ccc(F)cc2F)nc[nH]c1=O
InChIInChI=1S/C11H8F2N2O/c1-6-10(14-5-15-11(6)16)8-3-2-7(12)4-9(8)13/h2-5H,1H3,(H,14,15,16)
InChIKeyKZXQWUXIKTVXIE-UHFFFAOYSA-N
MW222.19 g/mol
LogP2.02
Rot. Bonds1

About 4-(2,4-difluorophenyl)-5-methyl-1H-pyrimidin-6-one

4-(2,4-difluorophenyl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 136692598) has the molecular formula C11H8F2N2O and a molecular weight of 222.19 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-5-methyl-1H-pyrimidin-6-one
PubChem CID136692598
Molecular FormulaC11H8F2N2O
Molecular Weight222.19 g/mol
Exact Mass222.06
IUPAC Name4-(2,4-difluorophenyl)-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(-c2ccc(F)cc2F)nc[nH]c1=O
InChIInChI=1S/C11H8F2N2O/c1-6-10(14-5-15-11(6)16)8-3-2-7(12)4-9(8)13/h2-5H,1H3,(H,14,15,16)
InChIKeyKZXQWUXIKTVXIE-UHFFFAOYSA-N
XLogP2.02
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,4-difluorophenyl)-5-methyl-1H-pyrimidin-6-one (CID 136692598) is 4-(2,4-difluorophenyl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,4-difluorophenyl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,4-difluorophenyl)-5-methyl-1H-pyrimidin-6-one is Cc1c(-c2ccc(F)cc2F)nc[nH]c1=O.
What is the InChIKey of 4-(2,4-difluorophenyl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is KZXQWUXIKTVXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O/c1-6-10(14-5-15-11(6)16)8-3-2-7(12)4-9(8)13/h2-5H,1H3,(H,14,15,16).
What are the key properties of 4-(2,4-difluorophenyl)-5-methyl-1H-pyrimidin-6-one?
4-(2,4-difluorophenyl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 222.19 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136692598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).