ethyl 2-cyclopropyl-4-ethylpyrimidine-5-carboxylate

C12H16N2O2 — CID 102972801

IUPACethyl 2-cyclopropyl-4-ethylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C2CC2)nc1CC
InChIInChI=1S/C12H16N2O2/c1-3-10-9(12(15)16-4-2)7-13-11(14-10)8-5-6-8/h7-8H,3-6H2,1-2H3
InChIKeyCIPRJNHILCMMDV-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.09
Rot. Bonds4

About ethyl 2-cyclopropyl-4-ethylpyrimidine-5-carboxylate

ethyl 2-cyclopropyl-4-ethylpyrimidine-5-carboxylate (PubChem CID 102972801) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-4-ethylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-4-ethylpyrimidine-5-carboxylate
PubChem CID102972801
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Nameethyl 2-cyclopropyl-4-ethylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C2CC2)nc1CC
InChIInChI=1S/C12H16N2O2/c1-3-10-9(12(15)16-4-2)7-13-11(14-10)8-5-6-8/h7-8H,3-6H2,1-2H3
InChIKeyCIPRJNHILCMMDV-UHFFFAOYSA-N
XLogP2.09
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(cyclopropylamino)-4-ethylpyrimidine-5-carboxylate
CID 102972850
ethyl 2-[cyclopropyl(ethoxy)methyl]-4-ethylpyrimidine-5-carboxylate
CID 102972887
ethyl 4-cyclopropyl-2-methylpyrimidine-5-carboxylate
CID 22831806
2-cyclopropyl-4-ethyl-5-methylpyrimidine
CID 123992925
ethyl 2-(diethylamino)-4-ethylpyrimidine-5-carboxylate
CID 102972867
ethyl 2-cyclopropyl-6-ethyl-5-methylpyridine-3-carboxylate
CID 116533542
ethyl 4-cyclopropyl-2-(thiolan-2-yl)pyrimidine-5-carboxylate
CID 102973166
ethyl 2-(2-bicyclo[2.2.1]heptanyl)-4-propylpyrimidine-5-carboxylate
CID 102972668
5-bromo-2-cyclopropyl-4-ethylpyrimidine
CID 82374760
ethyl 4-ethyl-2-(3-methylbutyl)pyrimidine-5-carboxylate
CID 102972892
ethyl 4-ethyl-2-(2H-triazol-4-yl)pyrimidine-5-carboxylate
CID 102972829
ethyl 4-amino-2-(thiolan-2-yl)pyrimidine-5-carboxylate
CID 116646799

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-4-ethylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-cyclopropyl-4-ethylpyrimidine-5-carboxylate (CID 102972801) is ethyl 2-cyclopropyl-4-ethylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-cyclopropyl-4-ethylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-cyclopropyl-4-ethylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(C2CC2)nc1CC.
What is the InChIKey of ethyl 2-cyclopropyl-4-ethylpyrimidine-5-carboxylate?
The InChIKey is CIPRJNHILCMMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-10-9(12(15)16-4-2)7-13-11(14-10)8-5-6-8/h7-8H,3-6H2,1-2H3.
What are the key properties of ethyl 2-cyclopropyl-4-ethylpyrimidine-5-carboxylate?
ethyl 2-cyclopropyl-4-ethylpyrimidine-5-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-4-ethylpyrimidine-5-carboxylate is sourced from PubChem (CID 102972801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).