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

C15H19N3O3 — CID 10637172

IUPAC6-(3-ethyl-4-methylanilino)-3-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione
SMILESCCc1cc(Nc2cc(=O)n(CCO)c(=O)[nH]2)ccc1C
InChIInChI=1S/C15H19N3O3/c1-3-11-8-12(5-4-10(11)2)16-13-9-14(20)18(6-7-19)15(21)17-13/h4-5,8-9,16,19H,3,6-7H2,1-2H3,(H,17,21)
InChIKeyFTISVDOYNRZHMN-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.14
Rot. Bonds5

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

6-(3-ethyl-4-methylanilino)-3-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione (PubChem CID 10637172) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 6-(3-ethyl-4-methylanilino)-3-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-ethyl-4-methylanilino)-3-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione
PubChem CID10637172
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name6-(3-ethyl-4-methylanilino)-3-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione
SMILESCCc1cc(Nc2cc(=O)n(CCO)c(=O)[nH]2)ccc1C
InChIInChI=1S/C15H19N3O3/c1-3-11-8-12(5-4-10(11)2)16-13-9-14(20)18(6-7-19)15(21)17-13/h4-5,8-9,16,19H,3,6-7H2,1-2H3,(H,17,21)
InChIKeyFTISVDOYNRZHMN-UHFFFAOYSA-N
XLogP1.14
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-ethyl-4-methylanilino)-3-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3-ethyl-4-methylanilino)-3-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione (CID 10637172) is 6-(3-ethyl-4-methylanilino)-3-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-ethyl-4-methylanilino)-3-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-ethyl-4-methylanilino)-3-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione is CCc1cc(Nc2cc(=O)n(CCO)c(=O)[nH]2)ccc1C.
What is the InChIKey of 6-(3-ethyl-4-methylanilino)-3-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is FTISVDOYNRZHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-11-8-12(5-4-10(11)2)16-13-9-14(20)18(6-7-19)15(21)17-13/h4-5,8-9,16,19H,3,6-7H2,1-2H3,(H,17,21).
What are the key properties of 6-(3-ethyl-4-methylanilino)-3-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione?
6-(3-ethyl-4-methylanilino)-3-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 289.34 g/mol, XLogP of 1.14, 5 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-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 10637172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).