ethyl 2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-4-methylpyrimidine-5-carboxylate

C14H19N3O3 — CID 83180970

IUPACethyl 2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N2CC(O)(C3CC3)C2)nc1C
InChIInChI=1S/C14H19N3O3/c1-3-20-12(18)11-6-15-13(16-9(11)2)17-7-14(19,8-17)10-4-5-10/h6,10,19H,3-5,7-8H2,1-2H3
InChIKeyLMYPGCRURYZEOK-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.92
Rot. Bonds4

About ethyl 2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-4-methylpyrimidine-5-carboxylate

ethyl 2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-4-methylpyrimidine-5-carboxylate (PubChem CID 83180970) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl 2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-4-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-4-methylpyrimidine-5-carboxylate
PubChem CID83180970
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Nameethyl 2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N2CC(O)(C3CC3)C2)nc1C
InChIInChI=1S/C14H19N3O3/c1-3-20-12(18)11-6-15-13(16-9(11)2)17-7-14(19,8-17)10-4-5-10/h6,10,19H,3-5,7-8H2,1-2H3
InChIKeyLMYPGCRURYZEOK-UHFFFAOYSA-N
XLogP0.92
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-4-methylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-4-methylpyrimidine-5-carboxylate (CID 83180970) is ethyl 2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-4-methylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-4-methylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-4-methylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(N2CC(O)(C3CC3)C2)nc1C.
What is the InChIKey of ethyl 2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-4-methylpyrimidine-5-carboxylate?
The InChIKey is LMYPGCRURYZEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-20-12(18)11-6-15-13(16-9(11)2)17-7-14(19,8-17)10-4-5-10/h6,10,19H,3-5,7-8H2,1-2H3.
What are the key properties of ethyl 2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-4-methylpyrimidine-5-carboxylate?
ethyl 2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-4-methylpyrimidine-5-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-4-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 83180970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).