5-ethyl-2-[(2-fluoro-4-pyrimidin-5-ylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C20H15FN4O4 — CID 57402398

IUPAC5-ethyl-2-[(2-fluoro-4-pyrimidin-5-ylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCc3ccc(-c4cncnc4)cc3F)[nH]c(=O)c12
InChIInChI=1S/C20H15FN4O4/c1-2-11-6-16(26)29-19-17(11)18(27)24-20(25-19)28-9-13-4-3-12(5-15(13)21)14-7-22-10-23-8-14/h3-8,10H,2,9H2,1H3,(H,24,25,27)
InChIKeyMFWLTSFWIGHEOX-UHFFFAOYSA-N
MW394.36 g/mol
LogP2.61
Rot. Bonds5

About 5-ethyl-2-[(2-fluoro-4-pyrimidin-5-ylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione

5-ethyl-2-[(2-fluoro-4-pyrimidin-5-ylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 57402398) has the molecular formula C20H15FN4O4 and a molecular weight of 394.36 g/mol. Its IUPAC name is 5-ethyl-2-[(2-fluoro-4-pyrimidin-5-ylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-ethyl-2-[(2-fluoro-4-pyrimidin-5-ylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID57402398
Molecular FormulaC20H15FN4O4
Molecular Weight394.36 g/mol
Exact Mass394.11
IUPAC Name5-ethyl-2-[(2-fluoro-4-pyrimidin-5-ylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCc3ccc(-c4cncnc4)cc3F)[nH]c(=O)c12
InChIInChI=1S/C20H15FN4O4/c1-2-11-6-16(26)29-19-17(11)18(27)24-20(25-19)28-9-13-4-3-12(5-15(13)21)14-7-22-10-23-8-14/h3-8,10H,2,9H2,1H3,(H,24,25,27)
InChIKeyMFWLTSFWIGHEOX-UHFFFAOYSA-N
XLogP2.61
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-ethyl-2-[(2-fluoro-4-pyrimidin-5-ylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione with MolForge

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Related Compounds

[3-[2-[(1-acetylpiperidin-4-yl)methoxy]pyrimidin-5-yl]-2-fluorophenyl]methyl N-(diaminomethylidene)carbamate
CID 66546013
Methyl 4-(5-pyrimidinyl)benzoate
CID 4187248
[5-(4-Octylphenyl)pyrimidin-2-yl] 3-fluoro-4-octylbenzoate
CID 54324025
benzyl N-[5-(4-fluorophenyl)pyrimidin-2-yl]carbamate
CID 57415638
5-ethyl-2-[(2-fluoro-4-pyridin-4-ylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304865
[3-[2-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methoxy]pyrimidin-5-yl]-2-fluorophenyl]methyl N-(diaminomethylidene)carbamate
CID 66546014
N-[1-[4-[2-[(3-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide
CID 66635472
N-[1-[4-[2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide
CID 66635511
N-[1-[4-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide
CID 68192531
[3-[2-[(1-acetylpiperidine-4-carbonyl)amino]pyrimidin-5-yl]-2-fluorophenyl]methyl N-(diaminomethylidene)carbamate
CID 68308594
[3-[2-(2-cyclohexyloxyethoxy)pyrimidin-5-yl]-2-fluorophenyl]methyl N-(diaminomethylidene)carbamate
CID 68308595
[3-[2-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]-2-fluorophenyl]methyl N-(diaminomethylidene)carbamate
CID 68308600

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(2-fluoro-4-pyrimidin-5-ylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-ethyl-2-[(2-fluoro-4-pyrimidin-5-ylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 57402398) is 5-ethyl-2-[(2-fluoro-4-pyrimidin-5-ylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-ethyl-2-[(2-fluoro-4-pyrimidin-5-ylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-ethyl-2-[(2-fluoro-4-pyrimidin-5-ylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCc1cc(=O)oc2nc(OCc3ccc(-c4cncnc4)cc3F)[nH]c(=O)c12.
What is the InChIKey of 5-ethyl-2-[(2-fluoro-4-pyrimidin-5-ylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is MFWLTSFWIGHEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O4/c1-2-11-6-16(26)29-19-17(11)18(27)24-20(25-19)28-9-13-4-3-12(5-15(13)21)14-7-22-10-23-8-14/h3-8,10H,2,9H2,1H3,(H,24,25,27).
What are the key properties of 5-ethyl-2-[(2-fluoro-4-pyrimidin-5-ylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-ethyl-2-[(2-fluoro-4-pyrimidin-5-ylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 394.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(2-fluoro-4-pyrimidin-5-ylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 57402398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).