2-(4-cyanophenoxy)-6-phenylpyrimidine-4-carboxamide

C18H12N4O2 — CID 943866

IUPAC2-(4-cyanophenoxy)-6-phenylpyrimidine-4-carboxamide
SMILESN#Cc1ccc(Oc2nc(C(N)=O)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H12N4O2/c19-11-12-6-8-14(9-7-12)24-18-21-15(10-16(22-18)17(20)23)13-4-2-1-3-5-13/h1-10H,(H2,20,23)
InChIKeyVGUISGRXNSMZGK-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.91
Rot. Bonds4

About 2-(4-cyanophenoxy)-6-phenylpyrimidine-4-carboxamide

2-(4-cyanophenoxy)-6-phenylpyrimidine-4-carboxamide (PubChem CID 943866) has the molecular formula C18H12N4O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-6-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-6-phenylpyrimidine-4-carboxamide
PubChem CID943866
Molecular FormulaC18H12N4O2
Molecular Weight316.32 g/mol
Exact Mass316.10
IUPAC Name2-(4-cyanophenoxy)-6-phenylpyrimidine-4-carboxamide
SMILESN#Cc1ccc(Oc2nc(C(N)=O)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H12N4O2/c19-11-12-6-8-14(9-7-12)24-18-21-15(10-16(22-18)17(20)23)13-4-2-1-3-5-13/h1-10H,(H2,20,23)
InChIKeyVGUISGRXNSMZGK-UHFFFAOYSA-N
XLogP2.91
TPSA101.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-6-phenylpyrimidine-4-carboxamide?
The IUPAC name of 2-(4-cyanophenoxy)-6-phenylpyrimidine-4-carboxamide (CID 943866) is 2-(4-cyanophenoxy)-6-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-6-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-cyanophenoxy)-6-phenylpyrimidine-4-carboxamide is N#Cc1ccc(Oc2nc(C(N)=O)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-6-phenylpyrimidine-4-carboxamide?
The InChIKey is VGUISGRXNSMZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O2/c19-11-12-6-8-14(9-7-12)24-18-21-15(10-16(22-18)17(20)23)13-4-2-1-3-5-13/h1-10H,(H2,20,23).
What are the key properties of 2-(4-cyanophenoxy)-6-phenylpyrimidine-4-carboxamide?
2-(4-cyanophenoxy)-6-phenylpyrimidine-4-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-6-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 943866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).