N-[(4-ethoxyphenyl)methyl]-N,3,6-trimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

C19H21N3O4 — CID 55405801

IUPACN-[(4-ethoxyphenyl)methyl]-N,3,6-trimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCCOc1ccc(CN(C)C(=O)c2c(C)oc3ncn(C)c(=O)c23)cc1
InChIInChI=1S/C19H21N3O4/c1-5-25-14-8-6-13(7-9-14)10-21(3)18(23)15-12(2)26-17-16(15)19(24)22(4)11-20-17/h6-9,11H,5,10H2,1-4H3
InChIKeyXNQNKBUEIYVUIS-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.51
Rot. Bonds5

About N-[(4-ethoxyphenyl)methyl]-N,3,6-trimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

N-[(4-ethoxyphenyl)methyl]-N,3,6-trimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 55405801) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-N,3,6-trimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-N,3,6-trimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID55405801
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-[(4-ethoxyphenyl)methyl]-N,3,6-trimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCCOc1ccc(CN(C)C(=O)c2c(C)oc3ncn(C)c(=O)c23)cc1
InChIInChI=1S/C19H21N3O4/c1-5-25-14-8-6-13(7-9-14)10-21(3)18(23)15-12(2)26-17-16(15)19(24)22(4)11-20-17/h6-9,11H,5,10H2,1-4H3
InChIKeyXNQNKBUEIYVUIS-UHFFFAOYSA-N
XLogP2.51
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-N,3,6-trimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-N,3,6-trimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (CID 55405801) is N-[(4-ethoxyphenyl)methyl]-N,3,6-trimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-N,3,6-trimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-N,3,6-trimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is CCOc1ccc(CN(C)C(=O)c2c(C)oc3ncn(C)c(=O)c23)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-N,3,6-trimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is XNQNKBUEIYVUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-5-25-14-8-6-13(7-9-14)10-21(3)18(23)15-12(2)26-17-16(15)19(24)22(4)11-20-17/h6-9,11H,5,10H2,1-4H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-N,3,6-trimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
N-[(4-ethoxyphenyl)methyl]-N,3,6-trimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-N,3,6-trimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 55405801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).