5-[(3-fluorophenyl)methyl]-2-methyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C15H11FN2O3 — CID 143517391

IUPAC5-[(3-fluorophenyl)methyl]-2-methyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCc1nc2oc(=O)cc(Cc3cccc(F)c3)c2c(=O)[nH]1
InChIInChI=1S/C15H11FN2O3/c1-8-17-14(20)13-10(7-12(19)21-15(13)18-8)5-9-3-2-4-11(16)6-9/h2-4,6-7H,5H2,1H3,(H,17,18,20)
InChIKeyOMTOPIANDFABGY-UHFFFAOYSA-N
MW286.26 g/mol
LogP1.91
Rot. Bonds2

About 5-[(3-fluorophenyl)methyl]-2-methyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione

5-[(3-fluorophenyl)methyl]-2-methyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 143517391) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-2-methyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-2-methyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID143517391
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Name5-[(3-fluorophenyl)methyl]-2-methyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCc1nc2oc(=O)cc(Cc3cccc(F)c3)c2c(=O)[nH]1
InChIInChI=1S/C15H11FN2O3/c1-8-17-14(20)13-10(7-12(19)21-15(13)18-8)5-9-3-2-4-11(16)6-9/h2-4,6-7H,5H2,1H3,(H,17,18,20)
InChIKeyOMTOPIANDFABGY-UHFFFAOYSA-N
XLogP1.91
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-2-pent-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 24954940
2-(difluoromethyl)-5-(3-(1-phenylcyclopropyl)propyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 53317467
5-ethyl-2-(4-(trifluoromethyl)phenyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 53321350
2-(difluoro(phenyl)methyl)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 53324023
5-ethyl-2-phenethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 53326574
Ethyl 5-(4-fluorophenyl)-2,7-dimethyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate
CID 139217355
5-[(3-fluorophenyl)methyl]-2-[(4-methylcyclohexylidene)amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 58187284
2-(1-fluoroethyl)-5-[3-(1-phenylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 58187497
2-(1-fluoroethyl)-5-[(3-phenylphenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 58187528
2-(1-fluoroethyl)-5-[(2R)-2-phenylcyclopropyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 58187561
2-(cyclopentylideneamino)oxy-5-[(3-fluorophenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 58187655
5-[(3-fluorophenyl)methyl]-2-methylsulfonyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 58925909

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-2-methyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-2-methyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 143517391) is 5-[(3-fluorophenyl)methyl]-2-methyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-2-methyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-2-methyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione is Cc1nc2oc(=O)cc(Cc3cccc(F)c3)c2c(=O)[nH]1.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-2-methyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is OMTOPIANDFABGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c1-8-17-14(20)13-10(7-12(19)21-15(13)18-8)5-9-3-2-4-11(16)6-9/h2-4,6-7H,5H2,1H3,(H,17,18,20).
What are the key properties of 5-[(3-fluorophenyl)methyl]-2-methyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-[(3-fluorophenyl)methyl]-2-methyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 286.26 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-2-methyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 143517391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).