2-amino-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;4-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

C51H62N12O7 — CID 161075182

IUPAC2-amino-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;4-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(N)C(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.CC(NC(=O)OC(C)(C)C)C(=O)O.Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1
InChIInChI=1S/C23H26N6O2.C20H21N5O.C8H15NO4/c1-16(24)22(30)26-18-4-2-17(3-5-18)21-10-11-25-23(28-21)27-19-6-8-20(9-7-19)29-12-14-31-15-13-29;21-16-3-1-15(2-4-16)19-9-10-22-20(24-19)23-17-5-7-18(8-6-17)25-11-13-26-14-12-25;1-5(6(10)11)9-7(12)13-8(2,3)4/h2-11,16H,12-15,24H2,1H3,(H,26,30)(H,25,27,28);1-10H,11-14,21H2,(H,22,23,24);5H,1-4H3,(H,9,12)(H,10,11)
InChIKeyUFECPRVYVASWSJ-UHFFFAOYSA-N
MW955.13 g/mol
LogP7.30
Rot. Bonds12

About 2-amino-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;4-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

2-amino-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;4-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (PubChem CID 161075182) has the molecular formula C51H62N12O7 and a molecular weight of 955.13 g/mol. Its IUPAC name is 2-amino-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;4-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.

Molecular Properties

Compound Name2-amino-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;4-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
PubChem CID161075182
Molecular FormulaC51H62N12O7
Molecular Weight955.13 g/mol
Exact Mass954.49
IUPAC Name2-amino-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;4-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(N)C(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.CC(NC(=O)OC(C)(C)C)C(=O)O.Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1
InChIInChI=1S/C23H26N6O2.C20H21N5O.C8H15NO4/c1-16(24)22(30)26-18-4-2-17(3-5-18)21-10-11-25-23(28-21)27-19-6-8-20(9-7-19)29-12-14-31-15-13-29;21-16-3-1-15(2-4-16)19-9-10-22-20(24-19)23-17-5-7-18(8-6-17)25-11-13-26-14-12-25;1-5(6(10)11)9-7(12)13-8(2,3)4/h2-11,16H,12-15,24H2,1H3,(H,26,30)(H,25,27,28);1-10H,11-14,21H2,(H,22,23,24);5H,1-4H3,(H,9,12)(H,10,11)
InChIKeyUFECPRVYVASWSJ-UHFFFAOYSA-N
XLogP7.30
TPSA257.33 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms70
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500955.13
LogP ≤ 57.30
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-amino-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;4-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide
CID 69022530
4-(4-aminophenyl)-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-2-amine;tert-butyl N-[(2S)-1-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]anilino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[(2R)-4-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]-3-oxo-1-phenylbutan-2-yl]carbamate
CID 159943614
4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 145490173
(2R)-2-amino-N-[4-[2-[4-(4-pentanoylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]propanamide
CID 151638418
[[1-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]anilino]-1-oxo-3-phenylpropan-2-yl]amino]carbamic acid
CID 174579818
(2S)-2-hydroxy-N-[4-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]propanamide
CID 70313966
(2R)-1-tert-butyl-2-[[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]carbamoyl]pyrrolidin-1-ium-1-carboxylic acid
CID 87724908
N-[4-[2-(3-bromo-4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]benzoic acid
CID 161408755
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
tert-butyl N-[(2S)-1-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)anilino]-1-oxopropan-2-yl]carbamate
CID 68776658
2-cyano-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide
CID 25060146
2-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide
CID 154271986

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;4-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The IUPAC name of 2-amino-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;4-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (CID 161075182) is 2-amino-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;4-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
What is the SMILES notation for 2-amino-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;4-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The canonical SMILES for 2-amino-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;4-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is CC(N)C(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.CC(NC(=O)OC(C)(C)C)C(=O)O.Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.
What is the InChIKey of 2-amino-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;4-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The InChIKey is UFECPRVYVASWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2.C20H21N5O.C8H15NO4/c1-16(24)22(30)26-18-4-2-17(3-5-18)21-10-11-25-23(28-21)27-19-6-8-20(9-7-19)29-12-14-31-15-13-29;21-16-3-1-15(2-4-16)19-9-10-22-20(24-19)23-17-5-7-18(8-6-17)25-11-13-26-14-12-25;1-5(6(10)11)9-7(12)13-8(2,3)4/h2-11,16H,12-15,24H2,1H3,(H,26,30)(H,25,27,28);1-10H,11-14,21H2,(H,22,23,24);5H,1-4H3,(H,9,12)(H,10,11).
What are the key properties of 2-amino-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;4-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
2-amino-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;4-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid has a molecular weight of 955.13 g/mol, XLogP of 7.30, 12 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;4-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is sourced from PubChem (CID 161075182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).