6-(N-ethylanilino)-3-methyl-1H-pyrimidine-2,4-dione

C13H15N3O2 — CID 654311

IUPAC6-(N-ethylanilino)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCCN(c1ccccc1)c1cc(=O)n(C)c(=O)[nH]1
InChIInChI=1S/C13H15N3O2/c1-3-16(10-7-5-4-6-8-10)11-9-12(17)15(2)13(18)14-11/h4-9H,3H2,1-2H3,(H,14,18)
InChIKeyIFSDBXYHBLTLHO-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.23
Rot. Bonds3

About 6-(N-ethylanilino)-3-methyl-1H-pyrimidine-2,4-dione

6-(N-ethylanilino)-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 654311) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 6-(N-ethylanilino)-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(N-ethylanilino)-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID654311
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name6-(N-ethylanilino)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCCN(c1ccccc1)c1cc(=O)n(C)c(=O)[nH]1
InChIInChI=1S/C13H15N3O2/c1-3-16(10-7-5-4-6-8-10)11-9-12(17)15(2)13(18)14-11/h4-9H,3H2,1-2H3,(H,14,18)
InChIKeyIFSDBXYHBLTLHO-UHFFFAOYSA-N
XLogP1.23
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(N-ethylanilino)-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(N-ethylanilino)-3-methyl-1H-pyrimidine-2,4-dione (CID 654311) is 6-(N-ethylanilino)-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(N-ethylanilino)-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(N-ethylanilino)-3-methyl-1H-pyrimidine-2,4-dione is CCN(c1ccccc1)c1cc(=O)n(C)c(=O)[nH]1.
What is the InChIKey of 6-(N-ethylanilino)-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is IFSDBXYHBLTLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-16(10-7-5-4-6-8-10)11-9-12(17)15(2)13(18)14-11/h4-9H,3H2,1-2H3,(H,14,18).
What are the key properties of 6-(N-ethylanilino)-3-methyl-1H-pyrimidine-2,4-dione?
6-(N-ethylanilino)-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 245.28 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-ethylanilino)-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 654311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).