ethyl 4-methyl-2-[1-(oxolan-2-yl)ethylamino]pyrimidine-5-carboxylate

C14H21N3O3 — CID 83178981

IUPACethyl 4-methyl-2-[1-(oxolan-2-yl)ethylamino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC(C)C2CCCO2)nc1C
InChIInChI=1S/C14H21N3O3/c1-4-19-13(18)11-8-15-14(16-9(11)2)17-10(3)12-6-5-7-20-12/h8,10,12H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyHXMBNIJYKVBIMC-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.94
Rot. Bonds5

About ethyl 4-methyl-2-[1-(oxolan-2-yl)ethylamino]pyrimidine-5-carboxylate

ethyl 4-methyl-2-[1-(oxolan-2-yl)ethylamino]pyrimidine-5-carboxylate (PubChem CID 83178981) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 4-methyl-2-[1-(oxolan-2-yl)ethylamino]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[1-(oxolan-2-yl)ethylamino]pyrimidine-5-carboxylate
PubChem CID83178981
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nameethyl 4-methyl-2-[1-(oxolan-2-yl)ethylamino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC(C)C2CCCO2)nc1C
InChIInChI=1S/C14H21N3O3/c1-4-19-13(18)11-8-15-14(16-9(11)2)17-10(3)12-6-5-7-20-12/h8,10,12H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyHXMBNIJYKVBIMC-UHFFFAOYSA-N
XLogP1.94
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[1-(oxolan-2-yl)ethylamino]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[1-(oxolan-2-yl)ethylamino]pyrimidine-5-carboxylate (CID 83178981) is ethyl 4-methyl-2-[1-(oxolan-2-yl)ethylamino]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[1-(oxolan-2-yl)ethylamino]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[1-(oxolan-2-yl)ethylamino]pyrimidine-5-carboxylate is CCOC(=O)c1cnc(NC(C)C2CCCO2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[1-(oxolan-2-yl)ethylamino]pyrimidine-5-carboxylate?
The InChIKey is HXMBNIJYKVBIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-19-13(18)11-8-15-14(16-9(11)2)17-10(3)12-6-5-7-20-12/h8,10,12H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of ethyl 4-methyl-2-[1-(oxolan-2-yl)ethylamino]pyrimidine-5-carboxylate?
ethyl 4-methyl-2-[1-(oxolan-2-yl)ethylamino]pyrimidine-5-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[1-(oxolan-2-yl)ethylamino]pyrimidine-5-carboxylate is sourced from PubChem (CID 83178981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).