N'-(4-aminophenyl)-N'-phenyl-N-pyrimidin-2-yloxamide

C18H15N5O2 — CID 108520702

IUPACN'-(4-aminophenyl)-N'-phenyl-N-pyrimidin-2-yloxamide
SMILESNc1ccc(N(C(=O)C(=O)Nc2ncccn2)c2ccccc2)cc1
InChIInChI=1S/C18H15N5O2/c19-13-7-9-15(10-8-13)23(14-5-2-1-3-6-14)17(25)16(24)22-18-20-11-4-12-21-18/h1-12H,19H2,(H,20,21,22,24)
InChIKeyDPQARHJEMRPCJD-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.36
Rot. Bonds3

About N'-(4-aminophenyl)-N'-phenyl-N-pyrimidin-2-yloxamide

N'-(4-aminophenyl)-N'-phenyl-N-pyrimidin-2-yloxamide (PubChem CID 108520702) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is N'-(4-aminophenyl)-N'-phenyl-N-pyrimidin-2-yloxamide.

Molecular Properties

Compound NameN'-(4-aminophenyl)-N'-phenyl-N-pyrimidin-2-yloxamide
PubChem CID108520702
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC NameN'-(4-aminophenyl)-N'-phenyl-N-pyrimidin-2-yloxamide
SMILESNc1ccc(N(C(=O)C(=O)Nc2ncccn2)c2ccccc2)cc1
InChIInChI=1S/C18H15N5O2/c19-13-7-9-15(10-8-13)23(14-5-2-1-3-6-14)17(25)16(24)22-18-20-11-4-12-21-18/h1-12H,19H2,(H,20,21,22,24)
InChIKeyDPQARHJEMRPCJD-UHFFFAOYSA-N
XLogP2.36
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-aminophenyl)-N'-phenyl-N-pyrimidin-2-yloxamide?
The IUPAC name of N'-(4-aminophenyl)-N'-phenyl-N-pyrimidin-2-yloxamide (CID 108520702) is N'-(4-aminophenyl)-N'-phenyl-N-pyrimidin-2-yloxamide.
What is the SMILES notation for N'-(4-aminophenyl)-N'-phenyl-N-pyrimidin-2-yloxamide?
The canonical SMILES for N'-(4-aminophenyl)-N'-phenyl-N-pyrimidin-2-yloxamide is Nc1ccc(N(C(=O)C(=O)Nc2ncccn2)c2ccccc2)cc1.
What is the InChIKey of N'-(4-aminophenyl)-N'-phenyl-N-pyrimidin-2-yloxamide?
The InChIKey is DPQARHJEMRPCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c19-13-7-9-15(10-8-13)23(14-5-2-1-3-6-14)17(25)16(24)22-18-20-11-4-12-21-18/h1-12H,19H2,(H,20,21,22,24).
What are the key properties of N'-(4-aminophenyl)-N'-phenyl-N-pyrimidin-2-yloxamide?
N'-(4-aminophenyl)-N'-phenyl-N-pyrimidin-2-yloxamide has a molecular weight of 333.35 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-aminophenyl)-N'-phenyl-N-pyrimidin-2-yloxamide is sourced from PubChem (CID 108520702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).