6-(3-ethyl-4-methylanilino)-3-(2-oxopropyl)-1H-pyrimidine-2,4-dione

C16H19N3O3 — CID 11702179

IUPAC6-(3-ethyl-4-methylanilino)-3-(2-oxopropyl)-1H-pyrimidine-2,4-dione
SMILESCCc1cc(Nc2cc(=O)n(CC(C)=O)c(=O)[nH]2)ccc1C
InChIInChI=1S/C16H19N3O3/c1-4-12-7-13(6-5-10(12)2)17-14-8-15(21)19(9-11(3)20)16(22)18-14/h5-8,17H,4,9H2,1-3H3,(H,18,22)
InChIKeyZAWLMKWLNXEZJP-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.74
Rot. Bonds5

About 6-(3-ethyl-4-methylanilino)-3-(2-oxopropyl)-1H-pyrimidine-2,4-dione

6-(3-ethyl-4-methylanilino)-3-(2-oxopropyl)-1H-pyrimidine-2,4-dione (PubChem CID 11702179) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 6-(3-ethyl-4-methylanilino)-3-(2-oxopropyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-ethyl-4-methylanilino)-3-(2-oxopropyl)-1H-pyrimidine-2,4-dione
PubChem CID11702179
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name6-(3-ethyl-4-methylanilino)-3-(2-oxopropyl)-1H-pyrimidine-2,4-dione
SMILESCCc1cc(Nc2cc(=O)n(CC(C)=O)c(=O)[nH]2)ccc1C
InChIInChI=1S/C16H19N3O3/c1-4-12-7-13(6-5-10(12)2)17-14-8-15(21)19(9-11(3)20)16(22)18-14/h5-8,17H,4,9H2,1-3H3,(H,18,22)
InChIKeyZAWLMKWLNXEZJP-UHFFFAOYSA-N
XLogP1.74
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-ethyl-4-methylanilino)-3-(2-oxopropyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3-ethyl-4-methylanilino)-3-(2-oxopropyl)-1H-pyrimidine-2,4-dione (CID 11702179) is 6-(3-ethyl-4-methylanilino)-3-(2-oxopropyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-ethyl-4-methylanilino)-3-(2-oxopropyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-ethyl-4-methylanilino)-3-(2-oxopropyl)-1H-pyrimidine-2,4-dione is CCc1cc(Nc2cc(=O)n(CC(C)=O)c(=O)[nH]2)ccc1C.
What is the InChIKey of 6-(3-ethyl-4-methylanilino)-3-(2-oxopropyl)-1H-pyrimidine-2,4-dione?
The InChIKey is ZAWLMKWLNXEZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-4-12-7-13(6-5-10(12)2)17-14-8-15(21)19(9-11(3)20)16(22)18-14/h5-8,17H,4,9H2,1-3H3,(H,18,22).
What are the key properties of 6-(3-ethyl-4-methylanilino)-3-(2-oxopropyl)-1H-pyrimidine-2,4-dione?
6-(3-ethyl-4-methylanilino)-3-(2-oxopropyl)-1H-pyrimidine-2,4-dione has a molecular weight of 301.35 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-4-methylanilino)-3-(2-oxopropyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 11702179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).