ethyl 4-carbamoyl-2-methyl-5-[(6-methylpyrimidin-4-yl)amino]furan-3-carboxylate

C14H16N4O4 — CID 108774168

IUPACethyl 4-carbamoyl-2-methyl-5-[(6-methylpyrimidin-4-yl)amino]furan-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(Nc2cc(C)ncn2)c1C(N)=O
InChIInChI=1S/C14H16N4O4/c1-4-21-14(20)10-8(3)22-13(11(10)12(15)19)18-9-5-7(2)16-6-17-9/h5-6H,4H2,1-3H3,(H2,15,19)(H,16,17,18)
InChIKeySAWXEMZNWNOYGI-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.71
Rot. Bonds5

About ethyl 4-carbamoyl-2-methyl-5-[(6-methylpyrimidin-4-yl)amino]furan-3-carboxylate

ethyl 4-carbamoyl-2-methyl-5-[(6-methylpyrimidin-4-yl)amino]furan-3-carboxylate (PubChem CID 108774168) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is ethyl 4-carbamoyl-2-methyl-5-[(6-methylpyrimidin-4-yl)amino]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-carbamoyl-2-methyl-5-[(6-methylpyrimidin-4-yl)amino]furan-3-carboxylate
PubChem CID108774168
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Nameethyl 4-carbamoyl-2-methyl-5-[(6-methylpyrimidin-4-yl)amino]furan-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(Nc2cc(C)ncn2)c1C(N)=O
InChIInChI=1S/C14H16N4O4/c1-4-21-14(20)10-8(3)22-13(11(10)12(15)19)18-9-5-7(2)16-6-17-9/h5-6H,4H2,1-3H3,(H2,15,19)(H,16,17,18)
InChIKeySAWXEMZNWNOYGI-UHFFFAOYSA-N
XLogP1.71
TPSA120.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-carbamoyl-2-methyl-5-[(6-methylpyrimidin-4-yl)amino]furan-3-carboxylate?
The IUPAC name of ethyl 4-carbamoyl-2-methyl-5-[(6-methylpyrimidin-4-yl)amino]furan-3-carboxylate (CID 108774168) is ethyl 4-carbamoyl-2-methyl-5-[(6-methylpyrimidin-4-yl)amino]furan-3-carboxylate.
What is the SMILES notation for ethyl 4-carbamoyl-2-methyl-5-[(6-methylpyrimidin-4-yl)amino]furan-3-carboxylate?
The canonical SMILES for ethyl 4-carbamoyl-2-methyl-5-[(6-methylpyrimidin-4-yl)amino]furan-3-carboxylate is CCOC(=O)c1c(C)oc(Nc2cc(C)ncn2)c1C(N)=O.
What is the InChIKey of ethyl 4-carbamoyl-2-methyl-5-[(6-methylpyrimidin-4-yl)amino]furan-3-carboxylate?
The InChIKey is SAWXEMZNWNOYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-4-21-14(20)10-8(3)22-13(11(10)12(15)19)18-9-5-7(2)16-6-17-9/h5-6H,4H2,1-3H3,(H2,15,19)(H,16,17,18).
What are the key properties of ethyl 4-carbamoyl-2-methyl-5-[(6-methylpyrimidin-4-yl)amino]furan-3-carboxylate?
ethyl 4-carbamoyl-2-methyl-5-[(6-methylpyrimidin-4-yl)amino]furan-3-carboxylate has a molecular weight of 304.31 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-carbamoyl-2-methyl-5-[(6-methylpyrimidin-4-yl)amino]furan-3-carboxylate is sourced from PubChem (CID 108774168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).