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

C19H25N3O4 — CID 10309080

IUPAC4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl acetate
SMILESCCc1cc(Nc2cc(=O)n(CCCCOC(C)=O)c(=O)[nH]2)ccc1C
InChIInChI=1S/C19H25N3O4/c1-4-15-11-16(8-7-13(15)2)20-17-12-18(24)22(19(25)21-17)9-5-6-10-26-14(3)23/h7-8,11-12,20H,4-6,9-10H2,1-3H3,(H,21,25)
InChIKeyBIKSHULDCZYIEL-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.49
Rot. Bonds8

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

4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl acetate (PubChem CID 10309080) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl acetate.

Molecular Properties

Compound Name4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl acetate
PubChem CID10309080
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl acetate
SMILESCCc1cc(Nc2cc(=O)n(CCCCOC(C)=O)c(=O)[nH]2)ccc1C
InChIInChI=1S/C19H25N3O4/c1-4-15-11-16(8-7-13(15)2)20-17-12-18(24)22(19(25)21-17)9-5-6-10-26-14(3)23/h7-8,11-12,20H,4-6,9-10H2,1-3H3,(H,21,25)
InChIKeyBIKSHULDCZYIEL-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

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 1-[3-(3,4-dimethylanilino)-3-oxopropyl]piperidine-4-carboxylate
CID 740689
6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione
CID 737912
3-(4-Hydroxybutyl)-6-(3-ethyl-4-methylanilino)uracil
CID 10448521
1,1-Dibutyl-3-(3,4-dimethylphenyl)urea
CID 3456501
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

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl acetate?
The IUPAC name of 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl acetate (CID 10309080) is 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl acetate.
What is the SMILES notation for 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl acetate?
The canonical SMILES for 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl acetate is CCc1cc(Nc2cc(=O)n(CCCCOC(C)=O)c(=O)[nH]2)ccc1C.
What is the InChIKey of 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl acetate?
The InChIKey is BIKSHULDCZYIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-4-15-11-16(8-7-13(15)2)20-17-12-18(24)22(19(25)21-17)9-5-6-10-26-14(3)23/h7-8,11-12,20H,4-6,9-10H2,1-3H3,(H,21,25).
What are the key properties of 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl acetate?
4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl acetate 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 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl acetate is sourced from PubChem (CID 10309080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).