(2R)-2-amino-3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide

C24H28N6O3 — CID 69022530

IUPAC(2R)-2-amino-3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide
SMILESCC(O)[C@@H](N)C(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1
InChIInChI=1S/C24H28N6O3/c1-16(31)22(25)23(32)27-18-4-2-17(3-5-18)21-10-11-26-24(29-21)28-19-6-8-20(9-7-19)30-12-14-33-15-13-30/h2-11,16,22,31H,12-15,25H2,1H3,(H,27,32)(H,26,28,29)/t16?,22-/m1/s1
InChIKeyZFSIEIPVHNNLRK-VXNXSFHZSA-N
MW448.53 g/mol
LogP2.37
Rot. Bonds7

About (2R)-2-amino-3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide

(2R)-2-amino-3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide (PubChem CID 69022530) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is (2R)-2-amino-3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide
PubChem CID69022530
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name(2R)-2-amino-3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide
SMILESCC(O)[C@@H](N)C(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1
InChIInChI=1S/C24H28N6O3/c1-16(31)22(25)23(32)27-18-4-2-17(3-5-18)21-10-11-26-24(29-21)28-19-6-8-20(9-7-19)30-12-14-33-15-13-30/h2-11,16,22,31H,12-15,25H2,1H3,(H,27,32)(H,26,28,29)/t16?,22-/m1/s1
InChIKeyZFSIEIPVHNNLRK-VXNXSFHZSA-N
XLogP2.37
TPSA125.63 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2R)-2-amino-3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-hydroxy-N-[4-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]propanamide
CID 70313966
4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 145490173
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
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
N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]cyclohexanecarboxamide
CID 159909500
[[1-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]anilino]-1-oxo-3-phenylpropan-2-yl]amino]carbamic acid
CID 174579818
(2R)-2-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]anilino]butanediamide
CID 69021858
(2R)-2-amino-N-[4-[2-[4-(4-pentanoylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]propanamide
CID 151638418
2-cyclopropyl-1-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]ethanone
CID 157060692
(2R)-2-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-5-oxopyrrolidine-1-carboxamide
CID 91571581
(2R)-1-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-1-propan-2-ylpyrrolidin-1-ium-2-carboxamide
CID 87660712

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide?
The IUPAC name of (2R)-2-amino-3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide (CID 69022530) is (2R)-2-amino-3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide.
What is the SMILES notation for (2R)-2-amino-3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide?
The canonical SMILES for (2R)-2-amino-3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide is CC(O)[C@@H](N)C(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.
What is the InChIKey of (2R)-2-amino-3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide?
The InChIKey is ZFSIEIPVHNNLRK-VXNXSFHZSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-16(31)22(25)23(32)27-18-4-2-17(3-5-18)21-10-11-26-24(29-21)28-19-6-8-20(9-7-19)30-12-14-33-15-13-30/h2-11,16,22,31H,12-15,25H2,1H3,(H,27,32)(H,26,28,29)/t16?,22-/m1/s1.
What are the key properties of (2R)-2-amino-3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide?
(2R)-2-amino-3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide has a molecular weight of 448.53 g/mol, XLogP of 2.37, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide is sourced from PubChem (CID 69022530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).