ethyl 5-(4-fluorophenyl)-2,7-dimethyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate

C18H17FN2O4 — CID 139217355

IUPACethyl 5-(4-fluorophenyl)-2,7-dimethyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)Oc2nc(C)[nH]c(=O)c2C1c1ccc(F)cc1
InChIInChI=1S/C18H17FN2O4/c1-4-24-18(23)13-9(2)25-17-15(16(22)20-10(3)21-17)14(13)11-5-7-12(19)8-6-11/h5-8,14H,4H2,1-3H3,(H,20,21,22)
InChIKeyUXRDKHSRTVABSZ-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.58
Rot. Bonds3

About ethyl 5-(4-fluorophenyl)-2,7-dimethyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate

ethyl 5-(4-fluorophenyl)-2,7-dimethyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate (PubChem CID 139217355) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is ethyl 5-(4-fluorophenyl)-2,7-dimethyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-fluorophenyl)-2,7-dimethyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate
PubChem CID139217355
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Nameethyl 5-(4-fluorophenyl)-2,7-dimethyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)Oc2nc(C)[nH]c(=O)c2C1c1ccc(F)cc1
InChIInChI=1S/C18H17FN2O4/c1-4-24-18(23)13-9(2)25-17-15(16(22)20-10(3)21-17)14(13)11-5-7-12(19)8-6-11/h5-8,14H,4H2,1-3H3,(H,20,21,22)
InChIKeyUXRDKHSRTVABSZ-UHFFFAOYSA-N
XLogP2.58
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-(4-fluorophenyl)-2,7-dimethyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate with MolForge

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Related Compounds

(5S)-6-acetyl-5-(4-chlorophenyl)-2,7-dimethyl-3,5-dihydropyrano[2,3-d]pyrimidin-4-one
CID 26415365
ethyl (5R)-2-ethylsulfanyl-5-(4-fluorophenyl)-7-methyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 136829617
ethyl (4S)-2-amino-4-(4-fluorophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carboxylate
CID 985619
(5R)-7-amino-5-(4-chlorophenyl)-2-methyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
CID 756119
(8S)-5-acetyl-8-(4-chlorophenyl)-6,12-dimethyl-2-oxa-4,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,6,12-tetraen-10-one
CID 26414832
ethyl (1S)-3-amino-1-(4-fluorophenyl)-9-hydroxy-1H-benzo[f]chromene-2-carboxylate
CID 1025841
5-acetyl-8-(4-chlorophenyl)-6,12-dimethyl-2-oxa-4,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,6,12-tetraen-10-one
CID 16765936
methyl 4-(8-acetyloxy-2-methyl-4-oxo-3,5-dihydrochromeno[2,3-d]pyrimidin-5-yl)benzoate
CID 16766049
ethyl 2-benzylsulfanyl-5-(4-fluorophenyl)-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 135533377
prop-2-enyl (5S)-5-(4-fluorophenyl)-7-methyl-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 7125694
ethyl 6-amino-5-cyano-4-[4-[(4-fluorophenoxy)methyl]phenyl]-2-methyl-4H-pyran-3-carboxylate
CID 169390832
ethyl 2-amino-7-methyl-5-oxo-4-pyridin-4-yl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
CID 667149

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-fluorophenyl)-2,7-dimethyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 5-(4-fluorophenyl)-2,7-dimethyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate (CID 139217355) is ethyl 5-(4-fluorophenyl)-2,7-dimethyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 5-(4-fluorophenyl)-2,7-dimethyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 5-(4-fluorophenyl)-2,7-dimethyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C)Oc2nc(C)[nH]c(=O)c2C1c1ccc(F)cc1.
What is the InChIKey of ethyl 5-(4-fluorophenyl)-2,7-dimethyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is UXRDKHSRTVABSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c1-4-24-18(23)13-9(2)25-17-15(16(22)20-10(3)21-17)14(13)11-5-7-12(19)8-6-11/h5-8,14H,4H2,1-3H3,(H,20,21,22).
What are the key properties of ethyl 5-(4-fluorophenyl)-2,7-dimethyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate?
ethyl 5-(4-fluorophenyl)-2,7-dimethyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 344.34 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-fluorophenyl)-2,7-dimethyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 139217355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).