N-(3-fluoro-4-methylphenyl)-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide

C14H14FN3O2 — CID 56724302

IUPACN-(3-fluoro-4-methylphenyl)-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2cncc(C)c2=O)cc1F
InChIInChI=1S/C14H14FN3O2/c1-9-3-4-11(5-12(9)15)17-13(19)7-18-8-16-6-10(2)14(18)20/h3-6,8H,7H2,1-2H3,(H,17,19)
InChIKeyVZFGSDNFNITTBP-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.64
Rot. Bonds3

About N-(3-fluoro-4-methylphenyl)-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide

N-(3-fluoro-4-methylphenyl)-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 56724302) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID56724302
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2cncc(C)c2=O)cc1F
InChIInChI=1S/C14H14FN3O2/c1-9-3-4-11(5-12(9)15)17-13(19)7-18-8-16-6-10(2)14(18)20/h3-6,8H,7H2,1-2H3,(H,17,19)
InChIKeyVZFGSDNFNITTBP-UHFFFAOYSA-N
XLogP1.64
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide (CID 56724302) is N-(3-fluoro-4-methylphenyl)-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide is Cc1ccc(NC(=O)Cn2cncc(C)c2=O)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is VZFGSDNFNITTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-9-3-4-11(5-12(9)15)17-13(19)7-18-8-16-6-10(2)14(18)20/h3-6,8H,7H2,1-2H3,(H,17,19).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide?
N-(3-fluoro-4-methylphenyl)-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 275.28 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 56724302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).