2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)acetamide

C14H14FN3O2 — CID 53014409

IUPAC2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)acetamide
SMILESCc1ncn(CC(=O)Nc2ccc(F)cc2)c(=O)c1C
InChIInChI=1S/C14H14FN3O2/c1-9-10(2)16-8-18(14(9)20)7-13(19)17-12-5-3-11(15)4-6-12/h3-6,8H,7H2,1-2H3,(H,17,19)
InChIKeyJIVZNVQZJWSAPK-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.64
Rot. Bonds3

About 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)acetamide

2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 53014409) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)acetamide
PubChem CID53014409
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)acetamide
SMILESCc1ncn(CC(=O)Nc2ccc(F)cc2)c(=O)c1C
InChIInChI=1S/C14H14FN3O2/c1-9-10(2)16-8-18(14(9)20)7-13(19)17-12-5-3-11(15)4-6-12/h3-6,8H,7H2,1-2H3,(H,17,19)
InChIKeyJIVZNVQZJWSAPK-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 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)acetamide (CID 53014409) is 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)acetamide is Cc1ncn(CC(=O)Nc2ccc(F)cc2)c(=O)c1C.
What is the InChIKey of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is JIVZNVQZJWSAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-9-10(2)16-8-18(14(9)20)7-13(19)17-12-5-3-11(15)4-6-12/h3-6,8H,7H2,1-2H3,(H,17,19).
What are the key properties of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)acetamide?
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)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 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 53014409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).