ethyl 2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxylate

C10H12N2O3 — CID 24903910

IUPACethyl 2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C10H12N2O3/c1-2-15-10(14)7-5-11-8(6-3-4-6)12-9(7)13/h5-6H,2-4H2,1H3,(H,11,12,13)
InChIKeyDZSPYMMOWYDUES-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.82
Rot. Bonds3

About ethyl 2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxylate

ethyl 2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxylate (PubChem CID 24903910) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxylate
PubChem CID24903910
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Nameethyl 2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C10H12N2O3/c1-2-15-10(14)7-5-11-8(6-3-4-6)12-9(7)13/h5-6H,2-4H2,1H3,(H,11,12,13)
InChIKeyDZSPYMMOWYDUES-UHFFFAOYSA-N
XLogP0.82
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxylate (CID 24903910) is ethyl 2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxylate is CCOC(=O)c1cnc(C2CC2)[nH]c1=O.
What is the InChIKey of ethyl 2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxylate?
The InChIKey is DZSPYMMOWYDUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-2-15-10(14)7-5-11-8(6-3-4-6)12-9(7)13/h5-6H,2-4H2,1H3,(H,11,12,13).
What are the key properties of ethyl 2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxylate?
ethyl 2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxylate has a molecular weight of 208.22 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 24903910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).