6-[(2-ethoxyanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione

C15H19N3O3 — CID 43233606

IUPAC6-[(2-ethoxyanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCOc1ccccc1NCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C15H19N3O3/c1-4-21-13-8-6-5-7-12(13)16-10-11-9-14(19)18(3)15(20)17(11)2/h5-9,16H,4,10H2,1-3H3
InChIKeySKGLMNIVKJNHOO-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.09
Rot. Bonds5

About 6-[(2-ethoxyanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[(2-ethoxyanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 43233606) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 6-[(2-ethoxyanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(2-ethoxyanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID43233606
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name6-[(2-ethoxyanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCOc1ccccc1NCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C15H19N3O3/c1-4-21-13-8-6-5-7-12(13)16-10-11-9-14(19)18(3)15(20)17(11)2/h5-9,16H,4,10H2,1-3H3
InChIKeySKGLMNIVKJNHOO-UHFFFAOYSA-N
XLogP1.09
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-ethoxybenzohydrazide
CID 2145310
N-(2-ethoxyphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694536
2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]aniline
CID 66118638
methyl 3-(2-ethoxyanilino)-3-oxopropanoate
CID 28637956
2-[(2-ethoxyanilino)methyl]aniline
CID 66385823
2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methoxy]benzonitrile
CID 46516132
6-[(2-chloro-6-methylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 66253105
3-[(2-ethoxyanilino)methyl]benzoic acid
CID 82096099
6-[[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 99836953
5-[(2-ethoxyanilino)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116630565
2-ethoxy-4-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62132406
3,5-dichloro-N-(2-ethoxyphenyl)benzamide
CID 2442507

Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethoxyanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[(2-ethoxyanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 43233606) is 6-[(2-ethoxyanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(2-ethoxyanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(2-ethoxyanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione is CCOc1ccccc1NCc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 6-[(2-ethoxyanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is SKGLMNIVKJNHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-21-13-8-6-5-7-12(13)16-10-11-9-14(19)18(3)15(20)17(11)2/h5-9,16H,4,10H2,1-3H3.
What are the key properties of 6-[(2-ethoxyanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[(2-ethoxyanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 289.34 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethoxyanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 43233606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).