methyl 2-phenoxypyrimidine-5-carboxylate

C12H10N2O3 — CID 68554907

IUPACmethyl 2-phenoxypyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(Oc2ccccc2)nc1
InChIInChI=1S/C12H10N2O3/c1-16-11(15)9-7-13-12(14-8-9)17-10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyCZRDNWKYZROYBX-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.06
Rot. Bonds3

About methyl 2-phenoxypyrimidine-5-carboxylate

methyl 2-phenoxypyrimidine-5-carboxylate (PubChem CID 68554907) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is methyl 2-phenoxypyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-phenoxypyrimidine-5-carboxylate
PubChem CID68554907
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Namemethyl 2-phenoxypyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(Oc2ccccc2)nc1
InChIInChI=1S/C12H10N2O3/c1-16-11(15)9-7-13-12(14-8-9)17-10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyCZRDNWKYZROYBX-UHFFFAOYSA-N
XLogP2.06
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302199
[2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] benzoate
CID 59252378
3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302206
1-(2-phenoxypyrimidin-5-yl)-3-phenylurea
CID 122302271
2,2-dimethyl-N-(2-phenoxypyrimidin-5-yl)propanamide
CID 122302193
methyl 4-[[4,6-bis(4-methoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate
CID 3094623
3,4,5-trimethoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302212
(4-methoxycarbonylphenyl) 4-phenoxybenzoate
CID 2677999
dimethyl 2-phenoxybenzene-1,4-dicarboxylate
CID 23436153
methyl 4-methyl-3-phenoxybenzoate
CID 15210812
CID 157228504
CID 157228504
methyl benzoate;hydrate
CID 141218240

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenoxypyrimidine-5-carboxylate?
The IUPAC name of methyl 2-phenoxypyrimidine-5-carboxylate (CID 68554907) is methyl 2-phenoxypyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2-phenoxypyrimidine-5-carboxylate?
The canonical SMILES for methyl 2-phenoxypyrimidine-5-carboxylate is COC(=O)c1cnc(Oc2ccccc2)nc1.
What is the InChIKey of methyl 2-phenoxypyrimidine-5-carboxylate?
The InChIKey is CZRDNWKYZROYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-16-11(15)9-7-13-12(14-8-9)17-10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of methyl 2-phenoxypyrimidine-5-carboxylate?
methyl 2-phenoxypyrimidine-5-carboxylate has a molecular weight of 230.22 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenoxypyrimidine-5-carboxylate is sourced from PubChem (CID 68554907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).