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

C15H19N3O2 — CID 10107347

IUPAC3-ethyl-6-(3-ethyl-4-methylanilino)-1H-pyrimidine-2,4-dione
SMILESCCC1=C(C=CC(=C1)NC2=CC(=O)N(C(=O)N2)CC)C
InChIInChI=1S/C15H19N3O2/c1-4-11-8-12(7-6-10(11)3)16-13-9-14(19)18(5-2)15(20)17-13/h6-9,16H,4-5H2,1-3H3,(H,17,20)
InChIKeyMZYHTCQEHQZUIZ-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.50
Rot. Bonds4

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

3-ethyl-6-(3-ethyl-4-methylanilino)-1H-pyrimidine-2,4-dione (PubChem CID 10107347) has the molecular formula C15H19N3O2 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-ethyl-6-(3-ethyl-4-methylanilino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-6-(3-ethyl-4-methylanilino)-1H-pyrimidine-2,4-dione
PubChem CID10107347
Molecular FormulaC15H19N3O2
Molecular Weight273.33 g/mol
Exact Mass273.15
IUPAC Name3-ethyl-6-(3-ethyl-4-methylanilino)-1H-pyrimidine-2,4-dione
SMILESCCC1=C(C=CC(=C1)NC2=CC(=O)N(C(=O)N2)CC)C
InChIInChI=1S/C15H19N3O2/c1-4-11-8-12(7-6-10(11)3)16-13-9-14(19)18(5-2)15(20)17-13/h6-9,16H,4-5H2,1-3H3,(H,17,20)
InChIKeyMZYHTCQEHQZUIZ-UHFFFAOYSA-N
XLogP2.50
TPSA61.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity419

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Isoproturon
CID 36679
Atglistatin
CID 71699712
6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione
CID 737912
N-((Acetylamino)(4-(dimethylamino)phenyl)methyl)acetamide
CID 853046
3-(4-Hydroxybutyl)-6-(3-ethyl-4-methylanilino)uracil
CID 10448521
1-(1-Propionylpiperidin-4-yl)-3-m-tolylurea
CID 49782798
1-(1-Propionylpiperidin-4-yl)-3-p-tolylurea
CID 49782799
N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 2987636
6-amino-5-bromo-1-(3,4-dimethylphenyl)-2,4(1H,3H)-pyrimidinedione
CID 1250749
6-(3-Ethyl-4-methyl-phenylamino)-3-(3-hydroxy-propyl)-1H-pyrimidine-2,4-dione
CID 509278
1,1-Dibutyl-3-(3,4-dimethylphenyl)urea
CID 3456501
1,1-Dibenzyl-3-(3,4-xylyl)urea
CID 3687938

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(3-ethyl-4-methylanilino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-ethyl-6-(3-ethyl-4-methylanilino)-1H-pyrimidine-2,4-dione (CID 10107347) is 3-ethyl-6-(3-ethyl-4-methylanilino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-ethyl-6-(3-ethyl-4-methylanilino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-ethyl-6-(3-ethyl-4-methylanilino)-1H-pyrimidine-2,4-dione is CCC1=C(C=CC(=C1)NC2=CC(=O)N(C(=O)N2)CC)C.
What is the InChIKey of 3-ethyl-6-(3-ethyl-4-methylanilino)-1H-pyrimidine-2,4-dione?
The InChIKey is MZYHTCQEHQZUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-11-8-12(7-6-10(11)3)16-13-9-14(19)18(5-2)15(20)17-13/h6-9,16H,4-5H2,1-3H3,(H,17,20).
What are the key properties of 3-ethyl-6-(3-ethyl-4-methylanilino)-1H-pyrimidine-2,4-dione?
3-ethyl-6-(3-ethyl-4-methylanilino)-1H-pyrimidine-2,4-dione has a molecular weight of 273.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(3-ethyl-4-methylanilino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 10107347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).