4-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine

C20H21N5O — CID 46882360

IUPAC4-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESNc1cccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1
InChIInChI=1S/C20H21N5O/c21-16-3-1-2-15(14-16)19-8-9-22-20(24-19)23-17-4-6-18(7-5-17)25-10-12-26-13-11-25/h1-9,14H,10-13,21H2,(H,22,23,24)
InChIKeySQEREIXEURLXJM-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.31
Rot. Bonds4

About 4-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine

4-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine (PubChem CID 46882360) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
PubChem CID46882360
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name4-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESNc1cccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1
InChIInChI=1S/C20H21N5O/c21-16-3-1-2-15(14-16)19-8-9-22-20(24-19)23-17-4-6-18(7-5-17)25-10-12-26-13-11-25/h1-9,14H,10-13,21H2,(H,22,23,24)
InChIKeySQEREIXEURLXJM-UHFFFAOYSA-N
XLogP3.31
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine (CID 46882360) is 4-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine is Nc1cccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1.
What is the InChIKey of 4-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The InChIKey is SQEREIXEURLXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c21-16-3-1-2-15(14-16)19-8-9-22-20(24-19)23-17-4-6-18(7-5-17)25-10-12-26-13-11-25/h1-9,14H,10-13,21H2,(H,22,23,24).
What are the key properties of 4-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
4-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine has a molecular weight of 347.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 46882360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).