4-(5-fluoro-2-methylphenyl)-2-propyl-1H-pyrimidin-6-one

C14H15FN2O — CID 136691943

IUPAC4-(5-fluoro-2-methylphenyl)-2-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(-c2cc(F)ccc2C)cc(=O)[nH]1
InChIInChI=1S/C14H15FN2O/c1-3-4-13-16-12(8-14(18)17-13)11-7-10(15)6-5-9(11)2/h5-8H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyMPCLATDEDMZVNT-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.84
Rot. Bonds3

About 4-(5-fluoro-2-methylphenyl)-2-propyl-1H-pyrimidin-6-one

4-(5-fluoro-2-methylphenyl)-2-propyl-1H-pyrimidin-6-one (PubChem CID 136691943) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylphenyl)-2-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(5-fluoro-2-methylphenyl)-2-propyl-1H-pyrimidin-6-one
PubChem CID136691943
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name4-(5-fluoro-2-methylphenyl)-2-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(-c2cc(F)ccc2C)cc(=O)[nH]1
InChIInChI=1S/C14H15FN2O/c1-3-4-13-16-12(8-14(18)17-13)11-7-10(15)6-5-9(11)2/h5-8H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyMPCLATDEDMZVNT-UHFFFAOYSA-N
XLogP2.84
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methylphenyl)-2-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(5-fluoro-2-methylphenyl)-2-propyl-1H-pyrimidin-6-one (CID 136691943) is 4-(5-fluoro-2-methylphenyl)-2-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(5-fluoro-2-methylphenyl)-2-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(5-fluoro-2-methylphenyl)-2-propyl-1H-pyrimidin-6-one is CCCc1nc(-c2cc(F)ccc2C)cc(=O)[nH]1.
What is the InChIKey of 4-(5-fluoro-2-methylphenyl)-2-propyl-1H-pyrimidin-6-one?
The InChIKey is MPCLATDEDMZVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-3-4-13-16-12(8-14(18)17-13)11-7-10(15)6-5-9(11)2/h5-8H,3-4H2,1-2H3,(H,16,17,18).
What are the key properties of 4-(5-fluoro-2-methylphenyl)-2-propyl-1H-pyrimidin-6-one?
4-(5-fluoro-2-methylphenyl)-2-propyl-1H-pyrimidin-6-one has a molecular weight of 246.28 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methylphenyl)-2-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136691943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).