methyl 2-phenylpyrimidine-5-carboxylate

C12H10N2O2 — CID 11206661

IUPACmethyl 2-phenylpyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C12H10N2O2/c1-16-12(15)10-7-13-11(14-8-10)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeySOMJCOFUAUMQPG-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.93
Rot. Bonds2

About methyl 2-phenylpyrimidine-5-carboxylate

methyl 2-phenylpyrimidine-5-carboxylate (PubChem CID 11206661) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is methyl 2-phenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-phenylpyrimidine-5-carboxylate
PubChem CID11206661
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Namemethyl 2-phenylpyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C12H10N2O2/c1-16-12(15)10-7-13-11(14-8-10)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeySOMJCOFUAUMQPG-UHFFFAOYSA-N
XLogP1.93
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-phenylpyrimidine-5-carboxylate?
The IUPAC name of methyl 2-phenylpyrimidine-5-carboxylate (CID 11206661) is methyl 2-phenylpyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2-phenylpyrimidine-5-carboxylate?
The canonical SMILES for methyl 2-phenylpyrimidine-5-carboxylate is COC(=O)c1cnc(-c2ccccc2)nc1.
What is the InChIKey of methyl 2-phenylpyrimidine-5-carboxylate?
The InChIKey is SOMJCOFUAUMQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-16-12(15)10-7-13-11(14-8-10)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of methyl 2-phenylpyrimidine-5-carboxylate?
methyl 2-phenylpyrimidine-5-carboxylate has a molecular weight of 214.22 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenylpyrimidine-5-carboxylate is sourced from PubChem (CID 11206661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).