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

C19H21N3O4 — CID 53209481

IUPACN-(4-methoxyphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)oc3ncn(CC(C)C)c(=O)c23)cc1
InChIInChI=1S/C19H21N3O4/c1-11(2)9-22-10-20-18-16(19(22)24)15(12(3)26-18)17(23)21-13-5-7-14(25-4)8-6-13/h5-8,10-11H,9H2,1-4H3,(H,21,23)
InChIKeyXTZYDJFXBJTGSY-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.21
Rot. Bonds5

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

N-(4-methoxyphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 53209481) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID53209481
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-(4-methoxyphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)oc3ncn(CC(C)C)c(=O)c23)cc1
InChIInChI=1S/C19H21N3O4/c1-11(2)9-22-10-20-18-16(19(22)24)15(12(3)26-18)17(23)21-13-5-7-14(25-4)8-6-13/h5-8,10-11H,9H2,1-4H3,(H,21,23)
InChIKeyXTZYDJFXBJTGSY-UHFFFAOYSA-N
XLogP3.21
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (CID 53209481) is N-(4-methoxyphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is COc1ccc(NC(=O)c2c(C)oc3ncn(CC(C)C)c(=O)c23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is XTZYDJFXBJTGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-11(2)9-22-10-20-18-16(19(22)24)15(12(3)26-18)17(23)21-13-5-7-14(25-4)8-6-13/h5-8,10-11H,9H2,1-4H3,(H,21,23).
What are the key properties of N-(4-methoxyphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
N-(4-methoxyphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 53209481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).