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

C19H24N2O4 — CID 135746691

IUPACethyl 2-[4-methyl-6-oxo-2-[(4-propoxyphenyl)methyl]-1H-pyrimidin-5-yl]acetate
SMILESCCCOc1ccc(Cc2nc(C)c(CC(=O)OCC)c(=O)[nH]2)cc1
InChIInChI=1S/C19H24N2O4/c1-4-10-25-15-8-6-14(7-9-15)11-17-20-13(3)16(19(23)21-17)12-18(22)24-5-2/h6-9H,4-5,10-12H2,1-3H3,(H,20,21,23)
InChIKeyJEYOZRCWNLGLJC-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.56
Rot. Bonds8

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

ethyl 2-[4-methyl-6-oxo-2-[(4-propoxyphenyl)methyl]-1H-pyrimidin-5-yl]acetate (PubChem CID 135746691) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is ethyl 2-[4-methyl-6-oxo-2-[(4-propoxyphenyl)methyl]-1H-pyrimidin-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-methyl-6-oxo-2-[(4-propoxyphenyl)methyl]-1H-pyrimidin-5-yl]acetate
PubChem CID135746691
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Nameethyl 2-[4-methyl-6-oxo-2-[(4-propoxyphenyl)methyl]-1H-pyrimidin-5-yl]acetate
SMILESCCCOc1ccc(Cc2nc(C)c(CC(=O)OCC)c(=O)[nH]2)cc1
InChIInChI=1S/C19H24N2O4/c1-4-10-25-15-8-6-14(7-9-15)11-17-20-13(3)16(19(23)21-17)12-18(22)24-5-2/h6-9H,4-5,10-12H2,1-3H3,(H,20,21,23)
InChIKeyJEYOZRCWNLGLJC-UHFFFAOYSA-N
XLogP2.56
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
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
5-Pyrimidineacetic acid, 6-hydroxy-2-(4-methoxybenzyl)-4-methyl-
CID 135746685
5-Pyrimidineacetic acid, 2-(4-ethoxybenzyl)-6-hydroxy-4-methyl-
CID 135746686
5-Pyrimidineacetic acid, 6-hydroxy-4-methyl-2-(4-propoxybenzyl)-
CID 135746687
5-Pyrimidineacetic acid, 2-(4-butoxybenzyl)-6-hydroxy-4-methyl-
CID 135746688

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-methyl-6-oxo-2-[(4-propoxyphenyl)methyl]-1H-pyrimidin-5-yl]acetate?
The IUPAC name of ethyl 2-[4-methyl-6-oxo-2-[(4-propoxyphenyl)methyl]-1H-pyrimidin-5-yl]acetate (CID 135746691) is ethyl 2-[4-methyl-6-oxo-2-[(4-propoxyphenyl)methyl]-1H-pyrimidin-5-yl]acetate.
What is the SMILES notation for ethyl 2-[4-methyl-6-oxo-2-[(4-propoxyphenyl)methyl]-1H-pyrimidin-5-yl]acetate?
The canonical SMILES for ethyl 2-[4-methyl-6-oxo-2-[(4-propoxyphenyl)methyl]-1H-pyrimidin-5-yl]acetate is CCCOc1ccc(Cc2nc(C)c(CC(=O)OCC)c(=O)[nH]2)cc1.
What is the InChIKey of ethyl 2-[4-methyl-6-oxo-2-[(4-propoxyphenyl)methyl]-1H-pyrimidin-5-yl]acetate?
The InChIKey is JEYOZRCWNLGLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-4-10-25-15-8-6-14(7-9-15)11-17-20-13(3)16(19(23)21-17)12-18(22)24-5-2/h6-9H,4-5,10-12H2,1-3H3,(H,20,21,23).
What are the key properties of ethyl 2-[4-methyl-6-oxo-2-[(4-propoxyphenyl)methyl]-1H-pyrimidin-5-yl]acetate?
ethyl 2-[4-methyl-6-oxo-2-[(4-propoxyphenyl)methyl]-1H-pyrimidin-5-yl]acetate has a molecular weight of 344.41 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-methyl-6-oxo-2-[(4-propoxyphenyl)methyl]-1H-pyrimidin-5-yl]acetate is sourced from PubChem (CID 135746691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).