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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Related Compounds

Momelotinib
CID 25062766
XL019
CID 57990869
(2r)-N-[4-[2-[(4-Morpholin-4-Ylphenyl)amino]pyrimidin-4-Yl]phenyl]pyrrolidine-2-Carboxamide
CID 57991377
N-[(2z)-4-(3-Fluoro-5-Morpholin-4-Ylphenyl)pyrimidin-2(1h)-Ylidene]-4-(3-Morpholin-4-Yl-1h-1,2,4-Triazol-1-Yl)aniline
CID 25222038
5-(2-Morpholinopyrimidin-4-yl)pyrimidin-2-amine
CID 53326637
4-(4-(1-Amino-1-Methylethyl)Phenyl)-5-Chloro-N-(4-(2-Morpholin-4-Ylethyl)Phenyl)Pyrimidin-2-Amine
CID 447622
5-(4-(Dimethylamino)phenyl)-6-(6-morpholin-4-ylpyridin-3-ylethynyl)pyrimidin-4-ylamine
CID 11987868
N-[4-[2-[(4-Morpholin-4-Ylphenyl)amino]pyrimidin-4-Yl]phenyl]ethanamide
CID 24877326
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6g
CID 5328348
4-[5-(4-Fluoro-phenyl)-3-(3-morpholin-4-yl-propyl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine
CID 9800117
7-cyclohexyl-N-[4-(morpholin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 23646625
5-bromo-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine
CID 57593528

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).