ethyl 1,2-dihydropyrimidine-2-carboxylate

C7H10N2O2 — CID 130412496

IUPACethyl 1,2-dihydropyrimidine-2-carboxylate
SMILESCCOC(=O)C1N=CC=CN1
InChIInChI=1S/C7H10N2O2/c1-2-11-7(10)6-8-4-3-5-9-6/h3-6,8H,2H2,1H3
InChIKeyXKTQTUNPFYIHNX-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.06
Rot. Bonds2

About ethyl 1,2-dihydropyrimidine-2-carboxylate

ethyl 1,2-dihydropyrimidine-2-carboxylate (PubChem CID 130412496) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is ethyl 1,2-dihydropyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1,2-dihydropyrimidine-2-carboxylate
PubChem CID130412496
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Nameethyl 1,2-dihydropyrimidine-2-carboxylate
SMILESCCOC(=O)C1N=CC=CN1
InChIInChI=1S/C7H10N2O2/c1-2-11-7(10)6-8-4-3-5-9-6/h3-6,8H,2H2,1H3
InChIKeyXKTQTUNPFYIHNX-UHFFFAOYSA-N
XLogP0.06
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,2-dihydropyrimidine-2-carboxylate?
The IUPAC name of ethyl 1,2-dihydropyrimidine-2-carboxylate (CID 130412496) is ethyl 1,2-dihydropyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 1,2-dihydropyrimidine-2-carboxylate?
The canonical SMILES for ethyl 1,2-dihydropyrimidine-2-carboxylate is CCOC(=O)C1N=CC=CN1.
What is the InChIKey of ethyl 1,2-dihydropyrimidine-2-carboxylate?
The InChIKey is XKTQTUNPFYIHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-11-7(10)6-8-4-3-5-9-6/h3-6,8H,2H2,1H3.
What are the key properties of ethyl 1,2-dihydropyrimidine-2-carboxylate?
ethyl 1,2-dihydropyrimidine-2-carboxylate has a molecular weight of 154.17 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2-dihydropyrimidine-2-carboxylate is sourced from PubChem (CID 130412496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).