ethyl 2-[2-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetate

C17H20N2O4 — CID 135746689

IUPACethyl 2-[2-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetate
SMILESCCOC(=O)Cc1c(C)nc(Cc2ccc(OC)cc2)[nH]c1=O
InChIInChI=1S/C17H20N2O4/c1-4-23-16(20)10-14-11(2)18-15(19-17(14)21)9-12-5-7-13(22-3)8-6-12/h5-8H,4,9-10H2,1-3H3,(H,18,19,21)
InChIKeyWDCGZNLOEDYHNT-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.78
Rot. Bonds6

About ethyl 2-[2-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetate

ethyl 2-[2-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetate (PubChem CID 135746689) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is ethyl 2-[2-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetate
PubChem CID135746689
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Nameethyl 2-[2-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetate
SMILESCCOC(=O)Cc1c(C)nc(Cc2ccc(OC)cc2)[nH]c1=O
InChIInChI=1S/C17H20N2O4/c1-4-23-16(20)10-14-11(2)18-15(19-17(14)21)9-12-5-7-13(22-3)8-6-12/h5-8H,4,9-10H2,1-3H3,(H,18,19,21)
InChIKeyWDCGZNLOEDYHNT-UHFFFAOYSA-N
XLogP1.78
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[2-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Pyrimidineacetic acid, 6-hydroxy-2-(4-isopropoxybenzyl)-4-methyl-
CID 135432452
5-Pyrimidineacetic acid, 4-hydroxy-2-(p-isopropoxybenzyl)-6-methyl-, ethyl ester
CID 135460619
4(1H)-Pyrimidinone, 2-butoxy-6-((4-methoxyphenyl)methyl)-
CID 135538688
2-(4-Isopropoxybenzyl)-6-methyl-4-pyrimidinol
CID 135449245
2-[2-(4-methoxyphenyl)-1-methylvinyl]-6-methyl-5-phenyl-4(3H)-pyrimidinone
CID 135437681
2-(4-Ethoxybenzyl)-6-methyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-ol
CID 135420399
Ethyl [3-(4-methoxyphenyl)-2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl]acetate
CID 2236750
2-(4-Ethoxybenzyl)-6-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-ol
CID 135485417
Cambridge id 7203477
CID 135403314
2-(4-hydroxy-2,6-dimethylpyrimidin-5-yl)-N'-[(1E)-1-(4-methoxyphenyl)ethylidene]acetohydrazide
CID 135517025
5-Pyrimidineacetic acid, 6-hydroxy-2-(4-methoxybenzyl)-4-methyl-
CID 135746685
5-Pyrimidineacetic acid, 2-(4-ethoxybenzyl)-6-hydroxy-4-methyl-
CID 135746686

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetate?
The IUPAC name of ethyl 2-[2-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetate (CID 135746689) is ethyl 2-[2-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetate is CCOC(=O)Cc1c(C)nc(Cc2ccc(OC)cc2)[nH]c1=O.
What is the InChIKey of ethyl 2-[2-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetate?
The InChIKey is WDCGZNLOEDYHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-4-23-16(20)10-14-11(2)18-15(19-17(14)21)9-12-5-7-13(22-3)8-6-12/h5-8H,4,9-10H2,1-3H3,(H,18,19,21).
What are the key properties of ethyl 2-[2-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetate?
ethyl 2-[2-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetate has a molecular weight of 316.36 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetate is sourced from PubChem (CID 135746689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).