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

C18H25N3O4 — CID 11551977

IUPAC6-(3-ethyl-4-methylanilino)-3-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-2,4-dione
SMILESCCc1cc(Nc2cc(=O)n(CCOCCOC)c(=O)[nH]2)ccc1C
InChIInChI=1S/C18H25N3O4/c1-4-14-11-15(6-5-13(14)2)19-16-12-17(22)21(18(23)20-16)7-8-25-10-9-24-3/h5-6,11-12,19H,4,7-10H2,1-3H3,(H,20,23)
InChIKeyBUVCPAZAFJZCFH-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.81
Rot. Bonds9

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

6-(3-ethyl-4-methylanilino)-3-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 11551977) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 6-(3-ethyl-4-methylanilino)-3-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-ethyl-4-methylanilino)-3-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-2,4-dione
PubChem CID11551977
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name6-(3-ethyl-4-methylanilino)-3-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-2,4-dione
SMILESCCc1cc(Nc2cc(=O)n(CCOCCOC)c(=O)[nH]2)ccc1C
InChIInChI=1S/C18H25N3O4/c1-4-14-11-15(6-5-13(14)2)19-16-12-17(22)21(18(23)20-16)7-8-25-10-9-24-3/h5-6,11-12,19H,4,7-10H2,1-3H3,(H,20,23)
InChIKeyBUVCPAZAFJZCFH-UHFFFAOYSA-N
XLogP1.81
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione
CID 737912
3-(4-Hydroxybutyl)-6-(3-ethyl-4-methylanilino)uracil
CID 10448521
N-(3,4-dimethylphenyl)-3-morpholin-4-ylpropanamide
CID 740682
6-(3-Ethyl-4-methyl-phenylamino)-3-(3-hydroxy-propyl)-1H-pyrimidine-2,4-dione
CID 509278
4-(N-(P-Tolyl)carbamoyl)morpholine
CID 790704
1,1-Dibutyl-3-(3,4-dimethylphenyl)urea
CID 3456501
N-(3,4-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 856321
N-[4-(butan-2-yl)phenyl]morpholine-4-carboxamide
CID 2880620
3-cyclohexyl-6-[(3,4-dimethylphenyl)amino]pyrimidine-2,4(1H,3H)-dione
CID 3237829
3-[2-(2-Hydroxyethoxy)ethyl]-6-(3-ethyl-4-methylanilino)uracil
CID 9905682
3-(4-Methoxybutyl)-6-(3-ethyl-4-methylanilino)uracil
CID 10088093
3-ethyl-6-(3-ethyl-4-methylanilino)-1H-pyrimidine-2,4-dione
CID 10107347

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethyl-4-methylanilino)-3-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3-ethyl-4-methylanilino)-3-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-2,4-dione (CID 11551977) is 6-(3-ethyl-4-methylanilino)-3-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-ethyl-4-methylanilino)-3-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-ethyl-4-methylanilino)-3-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-2,4-dione is CCc1cc(Nc2cc(=O)n(CCOCCOC)c(=O)[nH]2)ccc1C.
What is the InChIKey of 6-(3-ethyl-4-methylanilino)-3-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is BUVCPAZAFJZCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-4-14-11-15(6-5-13(14)2)19-16-12-17(22)21(18(23)20-16)7-8-25-10-9-24-3/h5-6,11-12,19H,4,7-10H2,1-3H3,(H,20,23).
What are the key properties of 6-(3-ethyl-4-methylanilino)-3-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-2,4-dione?
6-(3-ethyl-4-methylanilino)-3-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 347.42 g/mol, XLogP of 1.81, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-4-methylanilino)-3-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 11551977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).