methyl 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate

C19H15FN2O2 — CID 135035371

IUPACmethyl 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C19H15FN2O2/c1-12-16(19(23)24-2)17(13-8-10-15(20)11-9-13)22-18(21-12)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyVVTWOLNFPFRWAG-UHFFFAOYSA-N
MW322.34 g/mol
LogP4.04
Rot. Bonds3

About methyl 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate

methyl 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate (PubChem CID 135035371) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is methyl 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate
PubChem CID135035371
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Namemethyl 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C19H15FN2O2/c1-12-16(19(23)24-2)17(13-8-10-15(20)11-9-13)22-18(21-12)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyVVTWOLNFPFRWAG-UHFFFAOYSA-N
XLogP4.04
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate?
The IUPAC name of methyl 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate (CID 135035371) is methyl 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate is COC(=O)c1c(C)nc(-c2ccccc2)nc1-c1ccc(F)cc1.
What is the InChIKey of methyl 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate?
The InChIKey is VVTWOLNFPFRWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2/c1-12-16(19(23)24-2)17(13-8-10-15(20)11-9-13)22-18(21-12)14-6-4-3-5-7-14/h3-11H,1-2H3.
What are the key properties of methyl 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate?
methyl 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate has a molecular weight of 322.34 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate is sourced from PubChem (CID 135035371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).