N-(4-morpholin-4-ylphenyl)-4-phenylpyrimidin-2-amine

C20H20N4O — CID 46882359

IUPACN-(4-morpholin-4-ylphenyl)-4-phenylpyrimidin-2-amine
SMILESc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1
InChIInChI=1S/C20H20N4O/c1-2-4-16(5-3-1)19-10-11-21-20(23-19)22-17-6-8-18(9-7-17)24-12-14-25-15-13-24/h1-11H,12-15H2,(H,21,22,23)
InChIKeyXCBVVBMORUYAJM-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.72
Rot. Bonds4

About N-(4-morpholin-4-ylphenyl)-4-phenylpyrimidin-2-amine

N-(4-morpholin-4-ylphenyl)-4-phenylpyrimidin-2-amine (PubChem CID 46882359) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-4-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-4-phenylpyrimidin-2-amine
PubChem CID46882359
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-(4-morpholin-4-ylphenyl)-4-phenylpyrimidin-2-amine
SMILESc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1
InChIInChI=1S/C20H20N4O/c1-2-4-16(5-3-1)19-10-11-21-20(23-19)22-17-6-8-18(9-7-17)24-12-14-25-15-13-24/h1-11H,12-15H2,(H,21,22,23)
InChIKeyXCBVVBMORUYAJM-UHFFFAOYSA-N
XLogP3.72
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-4-phenylpyrimidin-2-amine?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-4-phenylpyrimidin-2-amine (CID 46882359) is N-(4-morpholin-4-ylphenyl)-4-phenylpyrimidin-2-amine.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-4-phenylpyrimidin-2-amine?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-4-phenylpyrimidin-2-amine is c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-4-phenylpyrimidin-2-amine?
The InChIKey is XCBVVBMORUYAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-2-4-16(5-3-1)19-10-11-21-20(23-19)22-17-6-8-18(9-7-17)24-12-14-25-15-13-24/h1-11H,12-15H2,(H,21,22,23).
What are the key properties of N-(4-morpholin-4-ylphenyl)-4-phenylpyrimidin-2-amine?
N-(4-morpholin-4-ylphenyl)-4-phenylpyrimidin-2-amine has a molecular weight of 332.41 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-4-phenylpyrimidin-2-amine is sourced from PubChem (CID 46882359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).