ethyl 4-(diethylamino)-2-(furan-2-yl)pyrimidine-5-carboxylate

C15H19N3O3 — CID 59517794

IUPACethyl 4-(diethylamino)-2-(furan-2-yl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccco2)nc1N(CC)CC
InChIInChI=1S/C15H19N3O3/c1-4-18(5-2)14-11(15(19)20-6-3)10-16-13(17-14)12-8-7-9-21-12/h7-10H,4-6H2,1-3H3
InChIKeyZWYGCTDQJDDNOF-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.76
Rot. Bonds6

About ethyl 4-(diethylamino)-2-(furan-2-yl)pyrimidine-5-carboxylate

ethyl 4-(diethylamino)-2-(furan-2-yl)pyrimidine-5-carboxylate (PubChem CID 59517794) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is ethyl 4-(diethylamino)-2-(furan-2-yl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(diethylamino)-2-(furan-2-yl)pyrimidine-5-carboxylate
PubChem CID59517794
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Nameethyl 4-(diethylamino)-2-(furan-2-yl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccco2)nc1N(CC)CC
InChIInChI=1S/C15H19N3O3/c1-4-18(5-2)14-11(15(19)20-6-3)10-16-13(17-14)12-8-7-9-21-12/h7-10H,4-6H2,1-3H3
InChIKeyZWYGCTDQJDDNOF-UHFFFAOYSA-N
XLogP2.76
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(diethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylate
CID 59517774
ethyl 2-(furan-2-yl)-4-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylate
CID 59517674
ethyl 6-(furan-2-yl)-4-phenylpyridine-3-carboxylate
CID 50924647
ethyl 4-(dimethylamino)-2-(3-methoxyphenyl)pyrimidine-5-carboxylate
CID 59517799
ethyl 5-(benzylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
CID 118707862
ethyl 4-(furan-2-yl)-5-methyl-1,3-thiazole-2-carboxylate
CID 62633596
ethyl 2-(4-aminophenyl)-4-(dimethylamino)pyrimidine-5-carboxylate
CID 59517572
ethyl 2-(furan-2-yl)thiophene-3-carboxylate
CID 10376255
ethyl 2-ethyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate
CID 116532867
ethyl 2-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 784776
4-amino-N-butan-2-yl-2-(furan-2-yl)pyrimidine-5-carboxamide
CID 83567628
ethyl 4-(N-amino-2-methylanilino)-2-phenylpyrimidine-5-carboxylate
CID 70560867

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(diethylamino)-2-(furan-2-yl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(diethylamino)-2-(furan-2-yl)pyrimidine-5-carboxylate (CID 59517794) is ethyl 4-(diethylamino)-2-(furan-2-yl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(diethylamino)-2-(furan-2-yl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(diethylamino)-2-(furan-2-yl)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2ccco2)nc1N(CC)CC.
What is the InChIKey of ethyl 4-(diethylamino)-2-(furan-2-yl)pyrimidine-5-carboxylate?
The InChIKey is ZWYGCTDQJDDNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-18(5-2)14-11(15(19)20-6-3)10-16-13(17-14)12-8-7-9-21-12/h7-10H,4-6H2,1-3H3.
What are the key properties of ethyl 4-(diethylamino)-2-(furan-2-yl)pyrimidine-5-carboxylate?
ethyl 4-(diethylamino)-2-(furan-2-yl)pyrimidine-5-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(diethylamino)-2-(furan-2-yl)pyrimidine-5-carboxylate is sourced from PubChem (CID 59517794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).