ethyl 2-methyl-6-oxo-5-propyl-1H-pyrimidine-4-carboxylate

C11H16N2O3 — CID 135731546

IUPACethyl 2-methyl-6-oxo-5-propyl-1H-pyrimidine-4-carboxylate
SMILESCCCc1c(C(=O)OCC)nc(C)[nH]c1=O
InChIInChI=1S/C11H16N2O3/c1-4-6-8-9(11(15)16-5-2)12-7(3)13-10(8)14/h4-6H2,1-3H3,(H,12,13,14)
InChIKeyYTBCMXDUUWYQML-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.21
Rot. Bonds4

About ethyl 2-methyl-6-oxo-5-propyl-1H-pyrimidine-4-carboxylate

ethyl 2-methyl-6-oxo-5-propyl-1H-pyrimidine-4-carboxylate (PubChem CID 135731546) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 2-methyl-6-oxo-5-propyl-1H-pyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-6-oxo-5-propyl-1H-pyrimidine-4-carboxylate
PubChem CID135731546
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Nameethyl 2-methyl-6-oxo-5-propyl-1H-pyrimidine-4-carboxylate
SMILESCCCc1c(C(=O)OCC)nc(C)[nH]c1=O
InChIInChI=1S/C11H16N2O3/c1-4-6-8-9(11(15)16-5-2)12-7(3)13-10(8)14/h4-6H2,1-3H3,(H,12,13,14)
InChIKeyYTBCMXDUUWYQML-UHFFFAOYSA-N
XLogP1.21
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-6-oxo-5-propyl-1H-pyrimidine-4-carboxylate?
The IUPAC name of ethyl 2-methyl-6-oxo-5-propyl-1H-pyrimidine-4-carboxylate (CID 135731546) is ethyl 2-methyl-6-oxo-5-propyl-1H-pyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 2-methyl-6-oxo-5-propyl-1H-pyrimidine-4-carboxylate?
The canonical SMILES for ethyl 2-methyl-6-oxo-5-propyl-1H-pyrimidine-4-carboxylate is CCCc1c(C(=O)OCC)nc(C)[nH]c1=O.
What is the InChIKey of ethyl 2-methyl-6-oxo-5-propyl-1H-pyrimidine-4-carboxylate?
The InChIKey is YTBCMXDUUWYQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-4-6-8-9(11(15)16-5-2)12-7(3)13-10(8)14/h4-6H2,1-3H3,(H,12,13,14).
What are the key properties of ethyl 2-methyl-6-oxo-5-propyl-1H-pyrimidine-4-carboxylate?
ethyl 2-methyl-6-oxo-5-propyl-1H-pyrimidine-4-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-6-oxo-5-propyl-1H-pyrimidine-4-carboxylate is sourced from PubChem (CID 135731546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).