methyl 4-(4-carbamoyl-6-phenylpyrimidin-2-yl)oxybenzoate

C19H15N3O4 — CID 947334

IUPACmethyl 4-(4-carbamoyl-6-phenylpyrimidin-2-yl)oxybenzoate
SMILESCOC(=O)c1ccc(Oc2nc(C(N)=O)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H15N3O4/c1-25-18(24)13-7-9-14(10-8-13)26-19-21-15(11-16(22-19)17(20)23)12-5-3-2-4-6-12/h2-11H,1H3,(H2,20,23)
InChIKeyFNYKMARKEZGPTM-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.82
Rot. Bonds5

About methyl 4-(4-carbamoyl-6-phenylpyrimidin-2-yl)oxybenzoate

methyl 4-(4-carbamoyl-6-phenylpyrimidin-2-yl)oxybenzoate (PubChem CID 947334) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is methyl 4-(4-carbamoyl-6-phenylpyrimidin-2-yl)oxybenzoate.

Molecular Properties

Compound Namemethyl 4-(4-carbamoyl-6-phenylpyrimidin-2-yl)oxybenzoate
PubChem CID947334
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Namemethyl 4-(4-carbamoyl-6-phenylpyrimidin-2-yl)oxybenzoate
SMILESCOC(=O)c1ccc(Oc2nc(C(N)=O)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H15N3O4/c1-25-18(24)13-7-9-14(10-8-13)26-19-21-15(11-16(22-19)17(20)23)12-5-3-2-4-6-12/h2-11H,1H3,(H2,20,23)
InChIKeyFNYKMARKEZGPTM-UHFFFAOYSA-N
XLogP2.82
TPSA104.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-carbamoyl-6-phenylpyrimidin-2-yl)oxybenzoate?
The IUPAC name of methyl 4-(4-carbamoyl-6-phenylpyrimidin-2-yl)oxybenzoate (CID 947334) is methyl 4-(4-carbamoyl-6-phenylpyrimidin-2-yl)oxybenzoate.
What is the SMILES notation for methyl 4-(4-carbamoyl-6-phenylpyrimidin-2-yl)oxybenzoate?
The canonical SMILES for methyl 4-(4-carbamoyl-6-phenylpyrimidin-2-yl)oxybenzoate is COC(=O)c1ccc(Oc2nc(C(N)=O)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of methyl 4-(4-carbamoyl-6-phenylpyrimidin-2-yl)oxybenzoate?
The InChIKey is FNYKMARKEZGPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c1-25-18(24)13-7-9-14(10-8-13)26-19-21-15(11-16(22-19)17(20)23)12-5-3-2-4-6-12/h2-11H,1H3,(H2,20,23).
What are the key properties of methyl 4-(4-carbamoyl-6-phenylpyrimidin-2-yl)oxybenzoate?
methyl 4-(4-carbamoyl-6-phenylpyrimidin-2-yl)oxybenzoate has a molecular weight of 349.35 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-carbamoyl-6-phenylpyrimidin-2-yl)oxybenzoate is sourced from PubChem (CID 947334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).