methyl 4-ethyl-6-oxo-1H-pyrimidine-5-carboxylate

C8H10N2O3 — CID 137204360

IUPACmethyl 4-ethyl-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCc1nc[nH]c(=O)c1C(=O)OC
InChIInChI=1S/C8H10N2O3/c1-3-5-6(8(12)13-2)7(11)10-4-9-5/h4H,3H2,1-2H3,(H,9,10,11)
InChIKeySHXSGVZJXBJFGG-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.12
Rot. Bonds2

About methyl 4-ethyl-6-oxo-1H-pyrimidine-5-carboxylate

methyl 4-ethyl-6-oxo-1H-pyrimidine-5-carboxylate (PubChem CID 137204360) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is methyl 4-ethyl-6-oxo-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethyl-6-oxo-1H-pyrimidine-5-carboxylate
PubChem CID137204360
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Namemethyl 4-ethyl-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCc1nc[nH]c(=O)c1C(=O)OC
InChIInChI=1S/C8H10N2O3/c1-3-5-6(8(12)13-2)7(11)10-4-9-5/h4H,3H2,1-2H3,(H,9,10,11)
InChIKeySHXSGVZJXBJFGG-UHFFFAOYSA-N
XLogP0.12
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 6-ethyl-4-hydroxypyrimidine-5-carboxylate
CID 135616682
Ethyl 4-hydroxy-6-methylpyrimidine-5-carboxylate
CID 136058045
methyl 2-(5-ethylidene-6-oxo-1H-pyrimidin-4-ylidene)propanoate
CID 136658234
7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
CID 141461933
Ethane;3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 144917818
Ethane;3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 144956136
ethyl 2-amino-4-ethyl-6-oxo-1H-pyrimidine-5-carboxylate
CID 152415043
4-tert-butyl-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 136310422
6-oxo-4-propyl-1H-pyrimidine-5-carboxylic acid
CID 136313133
Methyl 4-hydroxy-6-methylpyrimidine-5-carboxylate
CID 136316351
methyl 4-(aminomethyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 136316431
methyl 2-methoxy-6-oxo-4-propan-2-yl-1H-pyrimidine-5-carboxylate
CID 136700220

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethyl-6-oxo-1H-pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-ethyl-6-oxo-1H-pyrimidine-5-carboxylate (CID 137204360) is methyl 4-ethyl-6-oxo-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-ethyl-6-oxo-1H-pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-ethyl-6-oxo-1H-pyrimidine-5-carboxylate is CCc1nc[nH]c(=O)c1C(=O)OC.
What is the InChIKey of methyl 4-ethyl-6-oxo-1H-pyrimidine-5-carboxylate?
The InChIKey is SHXSGVZJXBJFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-3-5-6(8(12)13-2)7(11)10-4-9-5/h4H,3H2,1-2H3,(H,9,10,11).
What are the key properties of methyl 4-ethyl-6-oxo-1H-pyrimidine-5-carboxylate?
methyl 4-ethyl-6-oxo-1H-pyrimidine-5-carboxylate has a molecular weight of 182.18 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethyl-6-oxo-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 137204360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).