ethyl 2-butyl-5-(2-methoxy-2-oxoethyl)-6-oxo-1H-pyrimidine-4-carboxylate

C14H20N2O5 — CID 137292751

IUPACethyl 2-butyl-5-(2-methoxy-2-oxoethyl)-6-oxo-1H-pyrimidine-4-carboxylate
SMILESCCCCc1nc(C(=O)OCC)c(CC(=O)OC)c(=O)[nH]1
InChIInChI=1S/C14H20N2O5/c1-4-6-7-10-15-12(14(19)21-5-2)9(13(18)16-10)8-11(17)20-3/h4-8H2,1-3H3,(H,15,16,18)
InChIKeyJWMXNTJXZHYUAA-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.00
Rot. Bonds7

About ethyl 2-butyl-5-(2-methoxy-2-oxoethyl)-6-oxo-1H-pyrimidine-4-carboxylate

ethyl 2-butyl-5-(2-methoxy-2-oxoethyl)-6-oxo-1H-pyrimidine-4-carboxylate (PubChem CID 137292751) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is ethyl 2-butyl-5-(2-methoxy-2-oxoethyl)-6-oxo-1H-pyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-butyl-5-(2-methoxy-2-oxoethyl)-6-oxo-1H-pyrimidine-4-carboxylate
PubChem CID137292751
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Nameethyl 2-butyl-5-(2-methoxy-2-oxoethyl)-6-oxo-1H-pyrimidine-4-carboxylate
SMILESCCCCc1nc(C(=O)OCC)c(CC(=O)OC)c(=O)[nH]1
InChIInChI=1S/C14H20N2O5/c1-4-6-7-10-15-12(14(19)21-5-2)9(13(18)16-10)8-11(17)20-3/h4-8H2,1-3H3,(H,15,16,18)
InChIKeyJWMXNTJXZHYUAA-UHFFFAOYSA-N
XLogP1.00
TPSA98.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (2,6-dimethyl-3H-pyrimidin-4-on-5yl)acetate
CID 135459178
Ethyl 2-(3-ethoxy-3-oxopropyl)-5-methyl-6-oxo-3,6-dihydropyrimidine-4-carboxylate
CID 135452305
2-Methyl-5-propyl-6-hydroxy-pyrimidine-4-carboxylic acid ethyl ester
CID 135731546
ethyl 2-butyl-5-methyl-6-oxo-1H-pyrimidine-4-carboxylate
CID 136065553
Ethyl 5-ethyl-6-hydroxy-2-methylpyrimidine-4-carboxylate
CID 136204790
Ethyl 2-(2-butyl-4-hydroxy-6-methylpyrimidin-5-yl)acetate
CID 136334121
ethyl 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate
CID 136451664
Methyl 2-(2-butyl-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetate
CID 136922565
ethyl 2-(2-butyl-4-cyclopropyl-6-oxo-1H-pyrimidin-5-yl)acetate
CID 137532799
ethyl 2-(2-butyl-6-oxo-4-propan-2-yl-1H-pyrimidin-5-yl)acetate
CID 137532896
methyl 5-(2-ethoxy-2-oxoethyl)-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate
CID 166546264
2-(4-methoxycarbonyl-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetic acid
CID 166546408

Frequently Asked Questions

What is the IUPAC name of ethyl 2-butyl-5-(2-methoxy-2-oxoethyl)-6-oxo-1H-pyrimidine-4-carboxylate?
The IUPAC name of ethyl 2-butyl-5-(2-methoxy-2-oxoethyl)-6-oxo-1H-pyrimidine-4-carboxylate (CID 137292751) is ethyl 2-butyl-5-(2-methoxy-2-oxoethyl)-6-oxo-1H-pyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 2-butyl-5-(2-methoxy-2-oxoethyl)-6-oxo-1H-pyrimidine-4-carboxylate?
The canonical SMILES for ethyl 2-butyl-5-(2-methoxy-2-oxoethyl)-6-oxo-1H-pyrimidine-4-carboxylate is CCCCc1nc(C(=O)OCC)c(CC(=O)OC)c(=O)[nH]1.
What is the InChIKey of ethyl 2-butyl-5-(2-methoxy-2-oxoethyl)-6-oxo-1H-pyrimidine-4-carboxylate?
The InChIKey is JWMXNTJXZHYUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-4-6-7-10-15-12(14(19)21-5-2)9(13(18)16-10)8-11(17)20-3/h4-8H2,1-3H3,(H,15,16,18).
What are the key properties of ethyl 2-butyl-5-(2-methoxy-2-oxoethyl)-6-oxo-1H-pyrimidine-4-carboxylate?
ethyl 2-butyl-5-(2-methoxy-2-oxoethyl)-6-oxo-1H-pyrimidine-4-carboxylate has a molecular weight of 296.32 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-butyl-5-(2-methoxy-2-oxoethyl)-6-oxo-1H-pyrimidine-4-carboxylate is sourced from PubChem (CID 137292751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).