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

C15H17N3O2 — CID 3163985

IUPACN-benzyl-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NCc2ccccc2)c(=O)n1
InChIInChI=1S/C15H17N3O2/c1-11-8-12(2)18(15(20)17-11)10-14(19)16-9-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3,(H,16,19)
InChIKeyFDEWXJDERWOETH-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.18
Rot. Bonds4

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

N-benzyl-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide (PubChem CID 3163985) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-benzyl-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide
PubChem CID3163985
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-benzyl-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NCc2ccccc2)c(=O)n1
InChIInChI=1S/C15H17N3O2/c1-11-8-12(2)18(15(20)17-11)10-14(19)16-9-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3,(H,16,19)
InChIKeyFDEWXJDERWOETH-UHFFFAOYSA-N
XLogP1.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-benzyl-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide (CID 3163985) is N-benzyl-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-benzyl-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide is Cc1cc(C)n(CC(=O)NCc2ccccc2)c(=O)n1.
What is the InChIKey of N-benzyl-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide?
The InChIKey is FDEWXJDERWOETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-8-12(2)18(15(20)17-11)10-14(19)16-9-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3,(H,16,19).
What are the key properties of N-benzyl-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide?
N-benzyl-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide has a molecular weight of 271.32 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 3163985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).