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

C18H23N3O3 — CID 11681457

IUPAC6-(3-ethyl-4-methylanilino)-3-(4-oxopentyl)-1H-pyrimidine-2,4-dione
SMILESCCc1cc(Nc2cc(=O)n(CCCC(C)=O)c(=O)[nH]2)ccc1C
InChIInChI=1S/C18H23N3O3/c1-4-14-10-15(8-7-12(14)2)19-16-11-17(23)21(18(24)20-16)9-5-6-13(3)22/h7-8,10-11,19H,4-6,9H2,1-3H3,(H,20,24)
InChIKeyGTLADBZXUNRUKL-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.52
Rot. Bonds7

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

6-(3-ethyl-4-methylanilino)-3-(4-oxopentyl)-1H-pyrimidine-2,4-dione (PubChem CID 11681457) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 6-(3-ethyl-4-methylanilino)-3-(4-oxopentyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-ethyl-4-methylanilino)-3-(4-oxopentyl)-1H-pyrimidine-2,4-dione
PubChem CID11681457
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name6-(3-ethyl-4-methylanilino)-3-(4-oxopentyl)-1H-pyrimidine-2,4-dione
SMILESCCc1cc(Nc2cc(=O)n(CCCC(C)=O)c(=O)[nH]2)ccc1C
InChIInChI=1S/C18H23N3O3/c1-4-14-10-15(8-7-12(14)2)19-16-11-17(23)21(18(24)20-16)9-5-6-13(3)22/h7-8,10-11,19H,4-6,9H2,1-3H3,(H,20,24)
InChIKeyGTLADBZXUNRUKL-UHFFFAOYSA-N
XLogP2.52
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione
CID 737912
N-((Acetylamino)(4-(dimethylamino)phenyl)methyl)acetamide
CID 853046
3-(4-Hydroxybutyl)-6-(3-ethyl-4-methylanilino)uracil
CID 10448521
1-(1-Propionylpiperidin-4-yl)-3-m-tolylurea
CID 49782798
1-(1-Propionylpiperidin-4-yl)-3-p-tolylurea
CID 49782799
6-amino-5-bromo-1-(3,4-dimethylphenyl)-2,4(1H,3H)-pyrimidinedione
CID 1250749
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
1,1-Dibenzyl-3-(3,4-xylyl)urea
CID 3687938
1,1-Dibutyl-3-(2,3-xylyl)urea
CID 4157557
1-allyl-N-(3,4-dimethylphenyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 1486113
N-(3,4-dimethylphenyl)-N'-[2-(1-piperidinyl)ethyl]urea
CID 6468665

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethyl-4-methylanilino)-3-(4-oxopentyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3-ethyl-4-methylanilino)-3-(4-oxopentyl)-1H-pyrimidine-2,4-dione (CID 11681457) is 6-(3-ethyl-4-methylanilino)-3-(4-oxopentyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-ethyl-4-methylanilino)-3-(4-oxopentyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-ethyl-4-methylanilino)-3-(4-oxopentyl)-1H-pyrimidine-2,4-dione is CCc1cc(Nc2cc(=O)n(CCCC(C)=O)c(=O)[nH]2)ccc1C.
What is the InChIKey of 6-(3-ethyl-4-methylanilino)-3-(4-oxopentyl)-1H-pyrimidine-2,4-dione?
The InChIKey is GTLADBZXUNRUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-4-14-10-15(8-7-12(14)2)19-16-11-17(23)21(18(24)20-16)9-5-6-13(3)22/h7-8,10-11,19H,4-6,9H2,1-3H3,(H,20,24).
What are the key properties of 6-(3-ethyl-4-methylanilino)-3-(4-oxopentyl)-1H-pyrimidine-2,4-dione?
6-(3-ethyl-4-methylanilino)-3-(4-oxopentyl)-1H-pyrimidine-2,4-dione has a molecular weight of 329.40 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-4-methylanilino)-3-(4-oxopentyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 11681457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).