ethyl 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butanoate

C19H25N3O4 — CID 11602926

IUPACethyl 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butanoate
SMILESCCOC(=O)CCCn1c(=O)cc(Nc2ccc(C)c(CC)c2)[nH]c1=O
InChIInChI=1S/C19H25N3O4/c1-4-14-11-15(9-8-13(14)3)20-16-12-17(23)22(19(25)21-16)10-6-7-18(24)26-5-2/h8-9,11-12,20H,4-7,10H2,1-3H3,(H,21,25)
InChIKeyRNCDLWHHNPWWJZ-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.49
Rot. Bonds8

About ethyl 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butanoate

ethyl 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butanoate (PubChem CID 11602926) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is ethyl 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butanoate
PubChem CID11602926
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Nameethyl 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butanoate
SMILESCCOC(=O)CCCn1c(=O)cc(Nc2ccc(C)c(CC)c2)[nH]c1=O
InChIInChI=1S/C19H25N3O4/c1-4-14-11-15(9-8-13(14)3)20-16-12-17(23)22(19(25)21-16)10-6-7-18(24)26-5-2/h8-9,11-12,20H,4-7,10H2,1-3H3,(H,21,25)
InChIKeyRNCDLWHHNPWWJZ-UHFFFAOYSA-N
XLogP2.49
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butanoate with MolForge

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Related Compounds

Ethyl 1-[3-(3,4-dimethylanilino)-3-oxopropyl]piperidine-4-carboxylate
CID 740689
3-(4-Hydroxybutyl)-6-(3-ethyl-4-methylanilino)uracil
CID 10448521
6-(3-Ethyl-4-methyl-phenylamino)-3-(3-hydroxy-propyl)-1H-pyrimidine-2,4-dione
CID 509278
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
3-(4,5-Dihydroxy-pentyl)-6-(3-ethyl-4-methyl-phenylamino)-1H-pyrimidine-2,4-dione
CID 10150048
6-(3-Ethyl-4-methyl-phenylamino)-3-(3-morpholin-4-yl-propyl)-1H-pyrimidine-2,4-dione
CID 10150380
6-(3-Ethyl-4-methyl-phenylamino)-3-(4-morpholin-4-yl-butyl)-1H-pyrimidine-2,4-dione
CID 10151095
5-[4-(3-Ethyl-4-methyl-phenylamino)-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-pentanenitrile
CID 10172017
3-(5-Hydroxypentyl)-6-(3-ethyl-4-methylanilino)uracil
CID 10172067

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butanoate?
The IUPAC name of ethyl 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butanoate (CID 11602926) is ethyl 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butanoate.
What is the SMILES notation for ethyl 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butanoate?
The canonical SMILES for ethyl 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butanoate is CCOC(=O)CCCn1c(=O)cc(Nc2ccc(C)c(CC)c2)[nH]c1=O.
What is the InChIKey of ethyl 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butanoate?
The InChIKey is RNCDLWHHNPWWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-4-14-11-15(9-8-13(14)3)20-16-12-17(23)22(19(25)21-16)10-6-7-18(24)26-5-2/h8-9,11-12,20H,4-7,10H2,1-3H3,(H,21,25).
What are the key properties of ethyl 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butanoate?
ethyl 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butanoate has a molecular weight of 359.43 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butanoate is sourced from PubChem (CID 11602926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).