4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine

C21H22N4O — CID 145490173

IUPAC4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESCc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1
InChIInChI=1S/C21H22N4O/c1-16-2-4-17(5-3-16)20-10-11-22-21(24-20)23-18-6-8-19(9-7-18)25-12-14-26-15-13-25/h2-11H,12-15H2,1H3,(H,22,23,24)
InChIKeyJMVUWNDRSRDTDJ-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.03
Rot. Bonds4

About 4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine

4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine (PubChem CID 145490173) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
PubChem CID145490173
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESCc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1
InChIInChI=1S/C21H22N4O/c1-16-2-4-17(5-3-16)20-10-11-22-21(24-20)23-18-6-8-19(9-7-18)25-12-14-26-15-13-25/h2-11H,12-15H2,1H3,(H,22,23,24)
InChIKeyJMVUWNDRSRDTDJ-UHFFFAOYSA-N
XLogP4.03
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.03
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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Related Compounds

2-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide
CID 154271986
4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 123331778
4-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 46882411
(2R)-2-amino-3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide
CID 69022530
2-cyano-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide
CID 25060146
2-cyclopropyl-1-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]ethanone
CID 157060692
N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]cyclohexanecarboxamide
CID 159909500
2-[1-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]ethylideneamino]acetonitrile
CID 123631731
2-chloro-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]benzonitrile
CID 25061946
4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]benzoic acid;tritium monohydride
CID 159314126
N-(cyanomethyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]methanesulfonamide
CID 25061682
(2R)-2-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]anilino]butanediamide
CID 69021858

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine (CID 145490173) is 4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine is Cc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The InChIKey is JMVUWNDRSRDTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-16-2-4-17(5-3-16)20-10-11-22-21(24-20)23-18-6-8-19(9-7-18)25-12-14-26-15-13-25/h2-11H,12-15H2,1H3,(H,22,23,24).
What are the key properties of 4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine has a molecular weight of 346.43 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 145490173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).