ethyl 4-[ethyl(2-hydroxyethyl)amino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate

C14H19N3O4 — CID 20924955

IUPACethyl 4-[ethyl(2-hydroxyethyl)amino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2ncnc(N(CC)CCO)c12
InChIInChI=1S/C14H19N3O4/c1-4-17(6-7-18)12-11-10(14(19)20-5-2)9(3)21-13(11)16-8-15-12/h8,18H,4-7H2,1-3H3
InChIKeyHUQJPYZHOBKEAO-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.53
Rot. Bonds6

About ethyl 4-[ethyl(2-hydroxyethyl)amino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate

ethyl 4-[ethyl(2-hydroxyethyl)amino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate (PubChem CID 20924955) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is ethyl 4-[ethyl(2-hydroxyethyl)amino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[ethyl(2-hydroxyethyl)amino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
PubChem CID20924955
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Nameethyl 4-[ethyl(2-hydroxyethyl)amino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2ncnc(N(CC)CCO)c12
InChIInChI=1S/C14H19N3O4/c1-4-17(6-7-18)12-11-10(14(19)20-5-2)9(3)21-13(11)16-8-15-12/h8,18H,4-7H2,1-3H3
InChIKeyHUQJPYZHOBKEAO-UHFFFAOYSA-N
XLogP1.53
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[N-(2-hydroxyethyl)anilino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 22334821
ethyl 4-[(2-ethoxy-2-oxoethyl)amino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924958
ethyl 4-(2,5-dimethylanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924934
ethyl 4-(2-ethoxyanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924864
ethyl 4-(3-ethoxypropylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924881
ethyl 4-(benzylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924930
ethyl 4-(4-carbamoylpiperidin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924859
ethyl 6-methyl-3-[2-(methylamino)-2-oxoethyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651847
ethyl 4-(3-acetylanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924908
ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxylate
CID 61145395
ethyl 3-(2-cyanoethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 35341972
ethyl 6-methyl-4-[2-(4-methylpiperidin-1-yl)ethylamino]furo[2,3-d]pyrimidine-5-carboxylate
CID 46280360

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[ethyl(2-hydroxyethyl)amino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-[ethyl(2-hydroxyethyl)amino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate (CID 20924955) is ethyl 4-[ethyl(2-hydroxyethyl)amino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-[ethyl(2-hydroxyethyl)amino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-[ethyl(2-hydroxyethyl)amino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)oc2ncnc(N(CC)CCO)c12.
What is the InChIKey of ethyl 4-[ethyl(2-hydroxyethyl)amino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is HUQJPYZHOBKEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-4-17(6-7-18)12-11-10(14(19)20-5-2)9(3)21-13(11)16-8-15-12/h8,18H,4-7H2,1-3H3.
What are the key properties of ethyl 4-[ethyl(2-hydroxyethyl)amino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
ethyl 4-[ethyl(2-hydroxyethyl)amino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[ethyl(2-hydroxyethyl)amino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 20924955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).