N-(2,4-dimethylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide

C16H15N3O3 — CID 143746633

IUPACN-(2,4-dimethylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)oc3nc[nH]c(=O)c23)c(C)c1
InChIInChI=1S/C16H15N3O3/c1-8-4-5-11(9(2)6-8)19-15(21)12-10(3)22-16-13(12)14(20)17-7-18-16/h4-7H,1-3H3,(H,19,21)(H,17,18,20)
InChIKeyXNKFIOWNZRARTG-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.69
Rot. Bonds2

About N-(2,4-dimethylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide

N-(2,4-dimethylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 143746633) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID143746633
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-(2,4-dimethylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)oc3nc[nH]c(=O)c23)c(C)c1
InChIInChI=1S/C16H15N3O3/c1-8-4-5-11(9(2)6-8)19-15(21)12-10(3)22-16-13(12)14(20)17-7-18-16/h4-7H,1-3H3,(H,19,21)(H,17,18,20)
InChIKeyXNKFIOWNZRARTG-UHFFFAOYSA-N
XLogP2.69
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide (CID 143746633) is N-(2,4-dimethylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide is Cc1ccc(NC(=O)c2c(C)oc3nc[nH]c(=O)c23)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is XNKFIOWNZRARTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-8-4-5-11(9(2)6-8)19-15(21)12-10(3)22-16-13(12)14(20)17-7-18-16/h4-7H,1-3H3,(H,19,21)(H,17,18,20).
What are the key properties of N-(2,4-dimethylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
N-(2,4-dimethylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 143746633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).