2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]butanamide

C19H20FN3O3 — CID 53024046

IUPAC2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]butanamide
SMILESCCC(C(=O)NCc1ccc(F)cc1)n1cnc2oc(C)c(C)c2c1=O
InChIInChI=1S/C19H20FN3O3/c1-4-15(17(24)21-9-13-5-7-14(20)8-6-13)23-10-22-18-16(19(23)25)11(2)12(3)26-18/h5-8,10,15H,4,9H2,1-3H3,(H,21,24)
InChIKeyHZOSYOZXWVEYTG-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.01
Rot. Bonds5

About 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]butanamide

2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]butanamide (PubChem CID 53024046) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]butanamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]butanamide
PubChem CID53024046
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]butanamide
SMILESCCC(C(=O)NCc1ccc(F)cc1)n1cnc2oc(C)c(C)c2c1=O
InChIInChI=1S/C19H20FN3O3/c1-4-15(17(24)21-9-13-5-7-14(20)8-6-13)23-10-22-18-16(19(23)25)11(2)12(3)26-18/h5-8,10,15H,4,9H2,1-3H3,(H,21,24)
InChIKeyHZOSYOZXWVEYTG-UHFFFAOYSA-N
XLogP3.01
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(3-methoxyphenyl)methyl]butanamide
CID 53024051
(2S)-N-(2,5-difluorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide
CID 93053055
3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 53024199
N-(3-acetylphenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide
CID 53054130
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-propan-2-yloxyphenyl)methyl]propanamide
CID 53024256
(2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide
CID 94606450
methyl 2-[5-(4-fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoate
CID 5007669
(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 92866288
ethyl 3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651740
(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]butanamide
CID 93056451
N-[(4-fluorophenyl)methyl]-2-indazol-1-ylbutanamide
CID 122176580

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]butanamide?
The IUPAC name of 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]butanamide (CID 53024046) is 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]butanamide.
What is the SMILES notation for 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]butanamide?
The canonical SMILES for 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]butanamide is CCC(C(=O)NCc1ccc(F)cc1)n1cnc2oc(C)c(C)c2c1=O.
What is the InChIKey of 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]butanamide?
The InChIKey is HZOSYOZXWVEYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-4-15(17(24)21-9-13-5-7-14(20)8-6-13)23-10-22-18-16(19(23)25)11(2)12(3)26-18/h5-8,10,15H,4,9H2,1-3H3,(H,21,24).
What are the key properties of 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]butanamide?
2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]butanamide has a molecular weight of 357.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]butanamide is sourced from PubChem (CID 53024046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).