N-(4-methyl-6-oxo-5-phenoxy-1H-pyrimidin-2-yl)propanamide

C14H15N3O3 — CID 135449534

IUPACN-(4-methyl-6-oxo-5-phenoxy-1H-pyrimidin-2-yl)propanamide
SMILESCCC(=O)Nc1nc(C)c(Oc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C14H15N3O3/c1-3-11(18)16-14-15-9(2)12(13(19)17-14)20-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyDSRNNCOMWBGSEB-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.22
Rot. Bonds4

About N-(4-methyl-6-oxo-5-phenoxy-1H-pyrimidin-2-yl)propanamide

N-(4-methyl-6-oxo-5-phenoxy-1H-pyrimidin-2-yl)propanamide (PubChem CID 135449534) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-(4-methyl-6-oxo-5-phenoxy-1H-pyrimidin-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-methyl-6-oxo-5-phenoxy-1H-pyrimidin-2-yl)propanamide
PubChem CID135449534
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-(4-methyl-6-oxo-5-phenoxy-1H-pyrimidin-2-yl)propanamide
SMILESCCC(=O)Nc1nc(C)c(Oc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C14H15N3O3/c1-3-11(18)16-14-15-9(2)12(13(19)17-14)20-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyDSRNNCOMWBGSEB-UHFFFAOYSA-N
XLogP2.22
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-methyl-6-oxo-5-phenoxy-1H-pyrimidin-2-yl)propanamide 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-(4-methyl-6-oxo-5-phenoxy-1H-pyrimidin-2-yl)propanamide?
The IUPAC name of N-(4-methyl-6-oxo-5-phenoxy-1H-pyrimidin-2-yl)propanamide (CID 135449534) is N-(4-methyl-6-oxo-5-phenoxy-1H-pyrimidin-2-yl)propanamide.
What is the SMILES notation for N-(4-methyl-6-oxo-5-phenoxy-1H-pyrimidin-2-yl)propanamide?
The canonical SMILES for N-(4-methyl-6-oxo-5-phenoxy-1H-pyrimidin-2-yl)propanamide is CCC(=O)Nc1nc(C)c(Oc2ccccc2)c(=O)[nH]1.
What is the InChIKey of N-(4-methyl-6-oxo-5-phenoxy-1H-pyrimidin-2-yl)propanamide?
The InChIKey is DSRNNCOMWBGSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-3-11(18)16-14-15-9(2)12(13(19)17-14)20-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of N-(4-methyl-6-oxo-5-phenoxy-1H-pyrimidin-2-yl)propanamide?
N-(4-methyl-6-oxo-5-phenoxy-1H-pyrimidin-2-yl)propanamide has a molecular weight of 273.29 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-6-oxo-5-phenoxy-1H-pyrimidin-2-yl)propanamide is sourced from PubChem (CID 135449534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).