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

C23H20FN3O3 — CID 46300161

IUPACN-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)oc3ncn(Cc4ccc(F)cc4)c(=O)c23)cc1C
InChIInChI=1S/C23H20FN3O3/c1-13-4-9-18(10-14(13)2)26-21(28)19-15(3)30-22-20(19)23(29)27(12-25-22)11-16-5-7-17(24)8-6-16/h4-10,12H,11H2,1-3H3,(H,26,28)
InChIKeyDWSBWGYGQCUVIN-UHFFFAOYSA-N
MW405.43 g/mol
LogP4.35
Rot. Bonds4

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

N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 46300161) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID46300161
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC NameN-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)oc3ncn(Cc4ccc(F)cc4)c(=O)c23)cc1C
InChIInChI=1S/C23H20FN3O3/c1-13-4-9-18(10-14(13)2)26-21(28)19-15(3)30-22-20(19)23(29)27(12-25-22)11-16-5-7-17(24)8-6-16/h4-10,12H,11H2,1-3H3,(H,26,28)
InChIKeyDWSBWGYGQCUVIN-UHFFFAOYSA-N
XLogP4.35
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 51064538
N-(3-chloro-4-methoxyphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 53209384
N-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 41248002
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 53209329
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55973160
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55964443
6-methyl-4-oxo-3-(pyridin-2-ylmethyl)-N-(4-sulfamoylphenyl)furo[2,3-d]pyrimidine-5-carboxamide
CID 71035495
ethyl 3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651740
5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-3-(3-methoxypropyl)-6-methylfuro[2,3-d]pyrimidin-4-one
CID 91950213
3-(2-methoxyethyl)-6-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949952
ethyl 3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651747
3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 53024199

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (CID 46300161) is N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is Cc1ccc(NC(=O)c2c(C)oc3ncn(Cc4ccc(F)cc4)c(=O)c23)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is DWSBWGYGQCUVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3/c1-13-4-9-18(10-14(13)2)26-21(28)19-15(3)30-22-20(19)23(29)27(12-25-22)11-16-5-7-17(24)8-6-16/h4-10,12H,11H2,1-3H3,(H,26,28).
What are the key properties of N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 46300161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).