ethyl 5-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]pentanoate

C20H27N3O4 — CID 10215774

IUPACethyl 5-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]pentanoate
SMILESCCOC(=O)CCCCn1c(=O)cc(Nc2ccc(C)c(CC)c2)[nH]c1=O
InChIInChI=1S/C20H27N3O4/c1-4-15-12-16(10-9-14(15)3)21-17-13-18(24)23(20(26)22-17)11-7-6-8-19(25)27-5-2/h9-10,12-13,21H,4-8,11H2,1-3H3,(H,22,26)
InChIKeyMUNCSLJHAWJSEY-UHFFFAOYSA-N
MW373.45 g/mol
LogP2.88
Rot. Bonds9

About ethyl 5-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]pentanoate

ethyl 5-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]pentanoate (PubChem CID 10215774) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is ethyl 5-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]pentanoate.

Molecular Properties

Compound Nameethyl 5-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]pentanoate
PubChem CID10215774
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Nameethyl 5-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]pentanoate
SMILESCCOC(=O)CCCCn1c(=O)cc(Nc2ccc(C)c(CC)c2)[nH]c1=O
InChIInChI=1S/C20H27N3O4/c1-4-15-12-16(10-9-14(15)3)21-17-13-18(24)23(20(26)22-17)11-7-6-8-19(25)27-5-2/h9-10,12-13,21H,4-8,11H2,1-3H3,(H,22,26)
InChIKeyMUNCSLJHAWJSEY-UHFFFAOYSA-N
XLogP2.88
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 5-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
3-(5-Hydroxypentyl)-6-(3-ethyl-4-methylanilino)uracil
CID 10172067
6-(3-Ethyl-4-methyl-phenylamino)-3-(8-hydroxy-octyl)-1H-pyrimidine-2,4-dione
CID 10215777
3-(4-Acetoxybutyl)-6-(3-ethyl-4-methylanilino)uracil
CID 10309080

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]pentanoate?
The IUPAC name of ethyl 5-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]pentanoate (CID 10215774) is ethyl 5-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]pentanoate.
What is the SMILES notation for ethyl 5-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]pentanoate?
The canonical SMILES for ethyl 5-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]pentanoate is CCOC(=O)CCCCn1c(=O)cc(Nc2ccc(C)c(CC)c2)[nH]c1=O.
What is the InChIKey of ethyl 5-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]pentanoate?
The InChIKey is MUNCSLJHAWJSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-4-15-12-16(10-9-14(15)3)21-17-13-18(24)23(20(26)22-17)11-7-6-8-19(25)27-5-2/h9-10,12-13,21H,4-8,11H2,1-3H3,(H,22,26).
What are the key properties of ethyl 5-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]pentanoate?
ethyl 5-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]pentanoate has a molecular weight of 373.45 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]pentanoate is sourced from PubChem (CID 10215774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).