N-[4-methyl-5-(4-methylphenoxy)-6-oxo-1H-pyrimidin-2-yl]acetamide

C14H15N3O3 — CID 135468732

IUPACN-[4-methyl-5-(4-methylphenoxy)-6-oxo-1H-pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(Oc2ccc(C)cc2)c(=O)[nH]1
InChIInChI=1S/C14H15N3O3/c1-8-4-6-11(7-5-8)20-12-9(2)15-14(16-10(3)18)17-13(12)19/h4-7H,1-3H3,(H2,15,16,17,18,19)
InChIKeyIUPWLIOJYRLKRU-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.14
Rot. Bonds3

About N-[4-methyl-5-(4-methylphenoxy)-6-oxo-1H-pyrimidin-2-yl]acetamide

N-[4-methyl-5-(4-methylphenoxy)-6-oxo-1H-pyrimidin-2-yl]acetamide (PubChem CID 135468732) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[4-methyl-5-(4-methylphenoxy)-6-oxo-1H-pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-(4-methylphenoxy)-6-oxo-1H-pyrimidin-2-yl]acetamide
PubChem CID135468732
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[4-methyl-5-(4-methylphenoxy)-6-oxo-1H-pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(Oc2ccc(C)cc2)c(=O)[nH]1
InChIInChI=1S/C14H15N3O3/c1-8-4-6-11(7-5-8)20-12-9(2)15-14(16-10(3)18)17-13(12)19/h4-7H,1-3H3,(H2,15,16,17,18,19)
InChIKeyIUPWLIOJYRLKRU-UHFFFAOYSA-N
XLogP2.14
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(4-methylphenoxy)-6-oxo-1H-pyrimidin-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-(4-methylphenoxy)-6-oxo-1H-pyrimidin-2-yl]acetamide (CID 135468732) is N-[4-methyl-5-(4-methylphenoxy)-6-oxo-1H-pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-(4-methylphenoxy)-6-oxo-1H-pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-(4-methylphenoxy)-6-oxo-1H-pyrimidin-2-yl]acetamide is CC(=O)Nc1nc(C)c(Oc2ccc(C)cc2)c(=O)[nH]1.
What is the InChIKey of N-[4-methyl-5-(4-methylphenoxy)-6-oxo-1H-pyrimidin-2-yl]acetamide?
The InChIKey is IUPWLIOJYRLKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-8-4-6-11(7-5-8)20-12-9(2)15-14(16-10(3)18)17-13(12)19/h4-7H,1-3H3,(H2,15,16,17,18,19).
What are the key properties of N-[4-methyl-5-(4-methylphenoxy)-6-oxo-1H-pyrimidin-2-yl]acetamide?
N-[4-methyl-5-(4-methylphenoxy)-6-oxo-1H-pyrimidin-2-yl]acetamide has a molecular weight of 273.29 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(4-methylphenoxy)-6-oxo-1H-pyrimidin-2-yl]acetamide is sourced from PubChem (CID 135468732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).