N-benzyl-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-ethylacetamide

C19H21N3O3 — CID 53024007

IUPACN-benzyl-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)Cn1cnc2oc(C)c(C)c2c1=O
InChIInChI=1S/C19H21N3O3/c1-4-21(10-15-8-6-5-7-9-15)16(23)11-22-12-20-18-17(19(22)24)13(2)14(3)25-18/h5-9,12H,4,10-11H2,1-3H3
InChIKeyOSYODDRNHCBXNN-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.66
Rot. Bonds5

About N-benzyl-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-ethylacetamide

N-benzyl-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-ethylacetamide (PubChem CID 53024007) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-benzyl-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-ethylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-ethylacetamide
PubChem CID53024007
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-benzyl-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)Cn1cnc2oc(C)c(C)c2c1=O
InChIInChI=1S/C19H21N3O3/c1-4-21(10-15-8-6-5-7-9-15)16(23)11-22-12-20-18-17(19(22)24)13(2)14(3)25-18/h5-9,12H,4,10-11H2,1-3H3
InChIKeyOSYODDRNHCBXNN-UHFFFAOYSA-N
XLogP2.66
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[2-[benzyl(ethyl)amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651678
N-benzyl-N-ethyl-2-(6-hydroxy-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 177088797
2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 93053068
N-benzyl-N-ethyl-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 32789194
N-benzyl-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-ethylacetamide
CID 95917583
N-benzyl-2-(11,13-dimethyl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)-N-ethylacetamide
CID 7997418
3-[benzyl-[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanamide
CID 24565153
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 8576675
ethyl 3-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8652437
N-(4-chlorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)acetamide
CID 53024029
2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 53024095
2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 53023985

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-ethylacetamide?
The IUPAC name of N-benzyl-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-ethylacetamide (CID 53024007) is N-benzyl-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-ethylacetamide.
What is the SMILES notation for N-benzyl-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-ethylacetamide?
The canonical SMILES for N-benzyl-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)Cn1cnc2oc(C)c(C)c2c1=O.
What is the InChIKey of N-benzyl-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-ethylacetamide?
The InChIKey is OSYODDRNHCBXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-4-21(10-15-8-6-5-7-9-15)16(23)11-22-12-20-18-17(19(22)24)13(2)14(3)25-18/h5-9,12H,4,10-11H2,1-3H3.
What are the key properties of N-benzyl-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-ethylacetamide?
N-benzyl-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-ethylacetamide has a molecular weight of 339.40 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-ethylacetamide is sourced from PubChem (CID 53024007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).