methyl 4-(3,5-difluorophenyl)-6-methylpyrimidine-2-carboxylate

C13H10F2N2O2 — CID 67163766

IUPACmethyl 4-(3,5-difluorophenyl)-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(-c2cc(F)cc(F)c2)n1
InChIInChI=1S/C13H10F2N2O2/c1-7-3-11(17-12(16-7)13(18)19-2)8-4-9(14)6-10(15)5-8/h3-6H,1-2H3
InChIKeySJTHBDZIHFGZRF-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.52
Rot. Bonds2

About methyl 4-(3,5-difluorophenyl)-6-methylpyrimidine-2-carboxylate

methyl 4-(3,5-difluorophenyl)-6-methylpyrimidine-2-carboxylate (PubChem CID 67163766) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is methyl 4-(3,5-difluorophenyl)-6-methylpyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3,5-difluorophenyl)-6-methylpyrimidine-2-carboxylate
PubChem CID67163766
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Namemethyl 4-(3,5-difluorophenyl)-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(-c2cc(F)cc(F)c2)n1
InChIInChI=1S/C13H10F2N2O2/c1-7-3-11(17-12(16-7)13(18)19-2)8-4-9(14)6-10(15)5-8/h3-6H,1-2H3
InChIKeySJTHBDZIHFGZRF-UHFFFAOYSA-N
XLogP2.52
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(3,5-difluorophenyl)-6-methylpyrimidine-2-carboxylate?
The IUPAC name of methyl 4-(3,5-difluorophenyl)-6-methylpyrimidine-2-carboxylate (CID 67163766) is methyl 4-(3,5-difluorophenyl)-6-methylpyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-(3,5-difluorophenyl)-6-methylpyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-(3,5-difluorophenyl)-6-methylpyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(-c2cc(F)cc(F)c2)n1.
What is the InChIKey of methyl 4-(3,5-difluorophenyl)-6-methylpyrimidine-2-carboxylate?
The InChIKey is SJTHBDZIHFGZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c1-7-3-11(17-12(16-7)13(18)19-2)8-4-9(14)6-10(15)5-8/h3-6H,1-2H3.
What are the key properties of methyl 4-(3,5-difluorophenyl)-6-methylpyrimidine-2-carboxylate?
methyl 4-(3,5-difluorophenyl)-6-methylpyrimidine-2-carboxylate has a molecular weight of 264.23 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3,5-difluorophenyl)-6-methylpyrimidine-2-carboxylate is sourced from PubChem (CID 67163766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).