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

C20H23N3O3 — CID 46280369

IUPAC2,3-diethyl-6-methyl-N-[(3-methylphenyl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCCc1nc2oc(C)c(C(=O)NCc3cccc(C)c3)c2c(=O)n1CC
InChIInChI=1S/C20H23N3O3/c1-5-15-22-19-17(20(25)23(15)6-2)16(13(4)26-19)18(24)21-11-14-9-7-8-12(3)10-14/h7-10H,5-6,11H2,1-4H3,(H,21,24)
InChIKeyGCYVJBGODDMQAW-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.12
Rot. Bonds5

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

2,3-diethyl-6-methyl-N-[(3-methylphenyl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 46280369) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2,3-diethyl-6-methyl-N-[(3-methylphenyl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,3-diethyl-6-methyl-N-[(3-methylphenyl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID46280369
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2,3-diethyl-6-methyl-N-[(3-methylphenyl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCCc1nc2oc(C)c(C(=O)NCc3cccc(C)c3)c2c(=O)n1CC
InChIInChI=1S/C20H23N3O3/c1-5-15-22-19-17(20(25)23(15)6-2)16(13(4)26-19)18(24)21-11-14-9-7-8-12(3)10-14/h7-10H,5-6,11H2,1-4H3,(H,21,24)
InChIKeyGCYVJBGODDMQAW-UHFFFAOYSA-N
XLogP3.12
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 55958179
2,6-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 159197280
7-methyl-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110850843
2-hydroxy-9-methyl-N-[(3-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 136790874
N-[(3-chlorophenyl)methyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 51073119
1-ethyl-N-[(3-methylphenyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 33279242
5-methyl-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110392803
N-[(3-methoxy-4-propoxyphenyl)methyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55635299
3,5-dimethyl-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 54944517
N-(1,3-benzodioxol-5-ylmethyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 35809940
2-N-[(3-methylphenyl)methyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109097438
6-N-[(3-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097409

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-6-methyl-N-[(3-methylphenyl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 2,3-diethyl-6-methyl-N-[(3-methylphenyl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (CID 46280369) is 2,3-diethyl-6-methyl-N-[(3-methylphenyl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 2,3-diethyl-6-methyl-N-[(3-methylphenyl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 2,3-diethyl-6-methyl-N-[(3-methylphenyl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is CCc1nc2oc(C)c(C(=O)NCc3cccc(C)c3)c2c(=O)n1CC.
What is the InChIKey of 2,3-diethyl-6-methyl-N-[(3-methylphenyl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is GCYVJBGODDMQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-5-15-22-19-17(20(25)23(15)6-2)16(13(4)26-19)18(24)21-11-14-9-7-8-12(3)10-14/h7-10H,5-6,11H2,1-4H3,(H,21,24).
What are the key properties of 2,3-diethyl-6-methyl-N-[(3-methylphenyl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
2,3-diethyl-6-methyl-N-[(3-methylphenyl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-6-methyl-N-[(3-methylphenyl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 46280369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).