methyl 2-chloro-4-methyl-6-phenylpyrimidine-5-carboxylate

C13H11ClN2O2 — CID 53306073

IUPACmethyl 2-chloro-4-methyl-6-phenylpyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(Cl)nc1-c1ccccc1
InChIInChI=1S/C13H11ClN2O2/c1-8-10(12(17)18-2)11(16-13(14)15-8)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyMPQGYSUWYRMGKN-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.89
Rot. Bonds2

About methyl 2-chloro-4-methyl-6-phenylpyrimidine-5-carboxylate

methyl 2-chloro-4-methyl-6-phenylpyrimidine-5-carboxylate (PubChem CID 53306073) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is methyl 2-chloro-4-methyl-6-phenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-4-methyl-6-phenylpyrimidine-5-carboxylate
PubChem CID53306073
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Namemethyl 2-chloro-4-methyl-6-phenylpyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(Cl)nc1-c1ccccc1
InChIInChI=1S/C13H11ClN2O2/c1-8-10(12(17)18-2)11(16-13(14)15-8)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyMPQGYSUWYRMGKN-UHFFFAOYSA-N
XLogP2.89
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-4-methyl-6-phenylpyrimidine-5-carboxylate?
The IUPAC name of methyl 2-chloro-4-methyl-6-phenylpyrimidine-5-carboxylate (CID 53306073) is methyl 2-chloro-4-methyl-6-phenylpyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2-chloro-4-methyl-6-phenylpyrimidine-5-carboxylate?
The canonical SMILES for methyl 2-chloro-4-methyl-6-phenylpyrimidine-5-carboxylate is COC(=O)c1c(C)nc(Cl)nc1-c1ccccc1.
What is the InChIKey of methyl 2-chloro-4-methyl-6-phenylpyrimidine-5-carboxylate?
The InChIKey is MPQGYSUWYRMGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-8-10(12(17)18-2)11(16-13(14)15-8)9-6-4-3-5-7-9/h3-7H,1-2H3.
What are the key properties of methyl 2-chloro-4-methyl-6-phenylpyrimidine-5-carboxylate?
methyl 2-chloro-4-methyl-6-phenylpyrimidine-5-carboxylate has a molecular weight of 262.70 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-4-methyl-6-phenylpyrimidine-5-carboxylate is sourced from PubChem (CID 53306073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).