6-(4-Hexylanilino)-1-(2-hydroxyethyl)pyrimidine-2,4-dione

C18H25N3O3 — CID 512149

IUPAC6-(4-hexylanilino)-1-(2-hydroxyethyl)pyrimidine-2,4-dione
SMILESCCCCCCC1=CC=C(C=C1)NC2=CC(=O)NC(=O)N2CCO
InChIInChI=1S/C18H25N3O3/c1-2-3-4-5-6-14-7-9-15(10-8-14)19-16-13-17(23)20-18(24)21(16)11-12-22/h7-10,13,19,22H,2-6,11-12H2,1H3,(H,20,23,24)
InChIKeyNPVGOZKIEBNNLS-UHFFFAOYSA-N
MW331.40 g/mol
LogP3.20
Rot. Bonds9

About 6-(4-Hexylanilino)-1-(2-hydroxyethyl)pyrimidine-2,4-dione

6-(4-Hexylanilino)-1-(2-hydroxyethyl)pyrimidine-2,4-dione (PubChem CID 512149) has the molecular formula C18H25N3O3 and a molecular weight of 331.40 g/mol. Its IUPAC name is 6-(4-hexylanilino)-1-(2-hydroxyethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-Hexylanilino)-1-(2-hydroxyethyl)pyrimidine-2,4-dione
PubChem CID512149
Molecular FormulaC18H25N3O3
Molecular Weight331.40 g/mol
Exact Mass331.19
IUPAC Name6-(4-hexylanilino)-1-(2-hydroxyethyl)pyrimidine-2,4-dione
SMILESCCCCCCC1=CC=C(C=C1)NC2=CC(=O)NC(=O)N2CCO
InChIInChI=1S/C18H25N3O3/c1-2-3-4-5-6-14-7-9-15(10-8-14)19-16-13-17(23)20-18(24)21(16)11-12-22/h7-10,13,19,22H,2-6,11-12H2,1H3,(H,20,23,24)
InChIKeyNPVGOZKIEBNNLS-UHFFFAOYSA-N
XLogP3.20
TPSA81.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity456

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Nifekalant
CID 4486
Urea, N,N''-(methylenedi-4,1-phenylene)bis[N',N'-dimethyl-
CID 305607
N-((Acetylamino)(4-(dimethylamino)phenyl)methyl)acetamide
CID 853046
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
4-(N-(P-Tolyl)carbamoyl)morpholine
CID 790704
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
3-(4,5-Dihydroxy-pentyl)-6-(3-ethyl-4-methyl-phenylamino)-1H-pyrimidine-2,4-dione
CID 10150048

Frequently Asked Questions

What is the IUPAC name of 6-(4-Hexylanilino)-1-(2-hydroxyethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-(4-Hexylanilino)-1-(2-hydroxyethyl)pyrimidine-2,4-dione (CID 512149) is 6-(4-hexylanilino)-1-(2-hydroxyethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-Hexylanilino)-1-(2-hydroxyethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-Hexylanilino)-1-(2-hydroxyethyl)pyrimidine-2,4-dione is CCCCCCC1=CC=C(C=C1)NC2=CC(=O)NC(=O)N2CCO.
What is the InChIKey of 6-(4-Hexylanilino)-1-(2-hydroxyethyl)pyrimidine-2,4-dione?
The InChIKey is NPVGOZKIEBNNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-2-3-4-5-6-14-7-9-15(10-8-14)19-16-13-17(23)20-18(24)21(16)11-12-22/h7-10,13,19,22H,2-6,11-12H2,1H3,(H,20,23,24).
What are the key properties of 6-(4-Hexylanilino)-1-(2-hydroxyethyl)pyrimidine-2,4-dione?
6-(4-Hexylanilino)-1-(2-hydroxyethyl)pyrimidine-2,4-dione has a molecular weight of 331.40 g/mol, XLogP of 3.20, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-Hexylanilino)-1-(2-hydroxyethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 512149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).