methyl 4-methyl-6-phenylpyrimidine-5-carboxylate

C13H12N2O2 — CID 135045136

IUPACmethyl 4-methyl-6-phenylpyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)ncnc1-c1ccccc1
InChIInChI=1S/C13H12N2O2/c1-9-11(13(16)17-2)12(15-8-14-9)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyYPJNPTJRNFFMLZ-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.24
Rot. Bonds2

About methyl 4-methyl-6-phenylpyrimidine-5-carboxylate

methyl 4-methyl-6-phenylpyrimidine-5-carboxylate (PubChem CID 135045136) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is methyl 4-methyl-6-phenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-6-phenylpyrimidine-5-carboxylate
PubChem CID135045136
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Namemethyl 4-methyl-6-phenylpyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)ncnc1-c1ccccc1
InChIInChI=1S/C13H12N2O2/c1-9-11(13(16)17-2)12(15-8-14-9)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyYPJNPTJRNFFMLZ-UHFFFAOYSA-N
XLogP2.24
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-6-phenylpyrimidine-5-carboxylate?
The IUPAC name of methyl 4-methyl-6-phenylpyrimidine-5-carboxylate (CID 135045136) is methyl 4-methyl-6-phenylpyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-6-phenylpyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-methyl-6-phenylpyrimidine-5-carboxylate is COC(=O)c1c(C)ncnc1-c1ccccc1.
What is the InChIKey of methyl 4-methyl-6-phenylpyrimidine-5-carboxylate?
The InChIKey is YPJNPTJRNFFMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-9-11(13(16)17-2)12(15-8-14-9)10-6-4-3-5-7-10/h3-8H,1-2H3.
What are the key properties of methyl 4-methyl-6-phenylpyrimidine-5-carboxylate?
methyl 4-methyl-6-phenylpyrimidine-5-carboxylate has a molecular weight of 228.25 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-6-phenylpyrimidine-5-carboxylate is sourced from PubChem (CID 135045136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).