ethyl 4-(4-fluorophenyl)-2-phenyl-6-propan-2-yl-2,5-dihydropyrimidine-5-carboxylate

C22H23FN2O2 — CID 54290895

IUPACethyl 4-(4-fluorophenyl)-2-phenyl-6-propan-2-yl-2,5-dihydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1C(c2ccc(F)cc2)=NC(c2ccccc2)N=C1C(C)C
InChIInChI=1S/C22H23FN2O2/c1-4-27-22(26)18-19(14(2)3)24-21(16-8-6-5-7-9-16)25-20(18)15-10-12-17(23)13-11-15/h5-14,18,21H,4H2,1-3H3
InChIKeyRXKYQIZLDKFTBC-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.60
Rot. Bonds5

About ethyl 4-(4-fluorophenyl)-2-phenyl-6-propan-2-yl-2,5-dihydropyrimidine-5-carboxylate

ethyl 4-(4-fluorophenyl)-2-phenyl-6-propan-2-yl-2,5-dihydropyrimidine-5-carboxylate (PubChem CID 54290895) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-2-phenyl-6-propan-2-yl-2,5-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-2-phenyl-6-propan-2-yl-2,5-dihydropyrimidine-5-carboxylate
PubChem CID54290895
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Nameethyl 4-(4-fluorophenyl)-2-phenyl-6-propan-2-yl-2,5-dihydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1C(c2ccc(F)cc2)=NC(c2ccccc2)N=C1C(C)C
InChIInChI=1S/C22H23FN2O2/c1-4-27-22(26)18-19(14(2)3)24-21(16-8-6-5-7-9-16)25-20(18)15-10-12-17(23)13-11-15/h5-14,18,21H,4H2,1-3H3
InChIKeyRXKYQIZLDKFTBC-UHFFFAOYSA-N
XLogP4.60
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(4-fluorophenyl)-2-methylsulfanyl-6-propan-2-yl-2,5-dihydropyrimidine-5-carboxylate
CID 123507320
ethyl 3-phenyl-2H-azirine-2-carboxylate
CID 570795
ethyl 4-(4-fluorophenyl)-2-oxo-6-(4-propan-2-ylphenyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 91459388
ethyl 4-oxo-2,6-diphenyl-3H-pyridine-3-carboxylate
CID 70373641
ethyl (2R,3R)-1-benzhydryl-3-(4-fluorophenyl)aziridine-2-carboxylate
CID 101477953
methyl 6-(4-fluorophenyl)-2,3-dimethyl-4-phenyl-2,3,4,5-tetrahydropyridine-5-carboxylate
CID 123406482
diethyl (1R,2S,3R,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylate
CID 15261796
ethyl (3R)-1-[2-[(3R)-5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-3-carboxylate
CID 98632076
ethyl 4-(4-methoxyphenyl)-6-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene-2-carboxylate
CID 102040068
ethyl (1S,6S)-4,6-bis(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate
CID 7104570
ethyl 4-hydroxy-6-oxo-3-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyridazine-5-carboxylate
CID 10447754
ethyl 4-(4-fluorophenyl)-5-phenyl-2-propan-2-ylthiophene-3-carboxylate
CID 10499269

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-2-phenyl-6-propan-2-yl-2,5-dihydropyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-2-phenyl-6-propan-2-yl-2,5-dihydropyrimidine-5-carboxylate (CID 54290895) is ethyl 4-(4-fluorophenyl)-2-phenyl-6-propan-2-yl-2,5-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-2-phenyl-6-propan-2-yl-2,5-dihydropyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-2-phenyl-6-propan-2-yl-2,5-dihydropyrimidine-5-carboxylate is CCOC(=O)C1C(c2ccc(F)cc2)=NC(c2ccccc2)N=C1C(C)C.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-2-phenyl-6-propan-2-yl-2,5-dihydropyrimidine-5-carboxylate?
The InChIKey is RXKYQIZLDKFTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-4-27-22(26)18-19(14(2)3)24-21(16-8-6-5-7-9-16)25-20(18)15-10-12-17(23)13-11-15/h5-14,18,21H,4H2,1-3H3.
What are the key properties of ethyl 4-(4-fluorophenyl)-2-phenyl-6-propan-2-yl-2,5-dihydropyrimidine-5-carboxylate?
ethyl 4-(4-fluorophenyl)-2-phenyl-6-propan-2-yl-2,5-dihydropyrimidine-5-carboxylate has a molecular weight of 366.44 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-2-phenyl-6-propan-2-yl-2,5-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 54290895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).