N-phenyl-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide

C15H17N3O2 — CID 53014420

IUPACN-phenyl-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1nc(C)n(CC(=O)Nc2ccccc2)c(=O)c1C
InChIInChI=1S/C15H17N3O2/c1-10-11(2)16-12(3)18(15(10)20)9-14(19)17-13-7-5-4-6-8-13/h4-8H,9H2,1-3H3,(H,17,19)
InChIKeyCMFGBYTWENUNBH-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.81
Rot. Bonds3

About N-phenyl-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide

N-phenyl-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 53014420) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-phenyl-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-phenyl-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID53014420
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-phenyl-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1nc(C)n(CC(=O)Nc2ccccc2)c(=O)c1C
InChIInChI=1S/C15H17N3O2/c1-10-11(2)16-12(3)18(15(10)20)9-14(19)17-13-7-5-4-6-8-13/h4-8H,9H2,1-3H3,(H,17,19)
InChIKeyCMFGBYTWENUNBH-UHFFFAOYSA-N
XLogP1.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-phenyl-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide (CID 53014420) is N-phenyl-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-phenyl-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-phenyl-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide is Cc1nc(C)n(CC(=O)Nc2ccccc2)c(=O)c1C.
What is the InChIKey of N-phenyl-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is CMFGBYTWENUNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-11(2)16-12(3)18(15(10)20)9-14(19)17-13-7-5-4-6-8-13/h4-8H,9H2,1-3H3,(H,17,19).
What are the key properties of N-phenyl-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide?
N-phenyl-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 271.32 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 53014420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).