2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide

C13H17N5O3 — CID 136661941

IUPAC2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
SMILESCc1nc(C)c(CC(=O)NC(C)c2nnc(C)o2)c(=O)[nH]1
InChIInChI=1S/C13H17N5O3/c1-6-10(12(20)16-8(3)14-6)5-11(19)15-7(2)13-18-17-9(4)21-13/h7H,5H2,1-4H3,(H,15,19)(H,14,16,20)
InChIKeySASSAXSRSJIXSA-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.50
Rot. Bonds4

About 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide (PubChem CID 136661941) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
PubChem CID136661941
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
SMILESCc1nc(C)c(CC(=O)NC(C)c2nnc(C)o2)c(=O)[nH]1
InChIInChI=1S/C13H17N5O3/c1-6-10(12(20)16-8(3)14-6)5-11(19)15-7(2)13-18-17-9(4)21-13/h7H,5H2,1-4H3,(H,15,19)(H,14,16,20)
InChIKeySASSAXSRSJIXSA-UHFFFAOYSA-N
XLogP0.50
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]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 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide (CID 136661941) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide is Cc1nc(C)c(CC(=O)NC(C)c2nnc(C)o2)c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
The InChIKey is SASSAXSRSJIXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-6-10(12(20)16-8(3)14-6)5-11(19)15-7(2)13-18-17-9(4)21-13/h7H,5H2,1-4H3,(H,15,19)(H,14,16,20).
What are the key properties of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide has a molecular weight of 291.31 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 136661941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).