6-(3-ethyl-4-methylanilino)-3-(5-hydroxypentyl)-1H-pyrimidine-2,4-dione

C18H25N3O3 — CID 10172067

IUPAC6-(3-ethyl-4-methylanilino)-3-(5-hydroxypentyl)-1H-pyrimidine-2,4-dione
SMILESCCc1cc(Nc2cc(=O)n(CCCCCO)c(=O)[nH]2)ccc1C
InChIInChI=1S/C18H25N3O3/c1-3-14-11-15(8-7-13(14)2)19-16-12-17(23)21(18(24)20-16)9-5-4-6-10-22/h7-8,11-12,19,22H,3-6,9-10H2,1-2H3,(H,20,24)
InChIKeyXVXBDBZBXLUWGE-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.31
Rot. Bonds8

About 6-(3-ethyl-4-methylanilino)-3-(5-hydroxypentyl)-1H-pyrimidine-2,4-dione

6-(3-ethyl-4-methylanilino)-3-(5-hydroxypentyl)-1H-pyrimidine-2,4-dione (PubChem CID 10172067) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 6-(3-ethyl-4-methylanilino)-3-(5-hydroxypentyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-ethyl-4-methylanilino)-3-(5-hydroxypentyl)-1H-pyrimidine-2,4-dione
PubChem CID10172067
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name6-(3-ethyl-4-methylanilino)-3-(5-hydroxypentyl)-1H-pyrimidine-2,4-dione
SMILESCCc1cc(Nc2cc(=O)n(CCCCCO)c(=O)[nH]2)ccc1C
InChIInChI=1S/C18H25N3O3/c1-3-14-11-15(8-7-13(14)2)19-16-12-17(23)21(18(24)20-16)9-5-4-6-10-22/h7-8,11-12,19,22H,3-6,9-10H2,1-2H3,(H,20,24)
InChIKeyXVXBDBZBXLUWGE-UHFFFAOYSA-N
XLogP2.31
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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
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
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

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethyl-4-methylanilino)-3-(5-hydroxypentyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3-ethyl-4-methylanilino)-3-(5-hydroxypentyl)-1H-pyrimidine-2,4-dione (CID 10172067) is 6-(3-ethyl-4-methylanilino)-3-(5-hydroxypentyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-ethyl-4-methylanilino)-3-(5-hydroxypentyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-ethyl-4-methylanilino)-3-(5-hydroxypentyl)-1H-pyrimidine-2,4-dione is CCc1cc(Nc2cc(=O)n(CCCCCO)c(=O)[nH]2)ccc1C.
What is the InChIKey of 6-(3-ethyl-4-methylanilino)-3-(5-hydroxypentyl)-1H-pyrimidine-2,4-dione?
The InChIKey is XVXBDBZBXLUWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-3-14-11-15(8-7-13(14)2)19-16-12-17(23)21(18(24)20-16)9-5-4-6-10-22/h7-8,11-12,19,22H,3-6,9-10H2,1-2H3,(H,20,24).
What are the key properties of 6-(3-ethyl-4-methylanilino)-3-(5-hydroxypentyl)-1H-pyrimidine-2,4-dione?
6-(3-ethyl-4-methylanilino)-3-(5-hydroxypentyl)-1H-pyrimidine-2,4-dione has a molecular weight of 331.42 g/mol, XLogP of 2.31, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-4-methylanilino)-3-(5-hydroxypentyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 10172067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).