(2S)-2-hydroxy-2-methyl-N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]butanamide

C26H30N4O3 — CID 69021708

IUPAC(2S)-2-hydroxy-2-methyl-N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]butanamide
SMILESCC[C@](C)(O)C(=O)Nc1ccc(-c2ccnc(Cc3ccc(N4CCOCC4)cc3)n2)cc1
InChIInChI=1S/C26H30N4O3/c1-3-26(2,32)25(31)28-21-8-6-20(7-9-21)23-12-13-27-24(29-23)18-19-4-10-22(11-5-19)30-14-16-33-17-15-30/h4-13,32H,3,14-18H2,1-2H3,(H,28,31)/t26-/m0/s1
InChIKeyDOZSTLVXIQFDHX-SANMLTNESA-N
MW446.55 g/mol
LogP3.67
Rot. Bonds7

About (2S)-2-hydroxy-2-methyl-N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]butanamide

(2S)-2-hydroxy-2-methyl-N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]butanamide (PubChem CID 69021708) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-methyl-N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-methyl-N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]butanamide
PubChem CID69021708
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name(2S)-2-hydroxy-2-methyl-N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]butanamide
SMILESCC[C@](C)(O)C(=O)Nc1ccc(-c2ccnc(Cc3ccc(N4CCOCC4)cc3)n2)cc1
InChIInChI=1S/C26H30N4O3/c1-3-26(2,32)25(31)28-21-8-6-20(7-9-21)23-12-13-27-24(29-23)18-19-4-10-22(11-5-19)30-14-16-33-17-15-30/h4-13,32H,3,14-18H2,1-2H3,(H,28,31)/t26-/m0/s1
InChIKeyDOZSTLVXIQFDHX-SANMLTNESA-N
XLogP3.67
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze (2S)-2-hydroxy-2-methyl-N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]butanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-methyl-N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]butanamide?
The IUPAC name of (2S)-2-hydroxy-2-methyl-N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]butanamide (CID 69021708) is (2S)-2-hydroxy-2-methyl-N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]butanamide.
What is the SMILES notation for (2S)-2-hydroxy-2-methyl-N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]butanamide?
The canonical SMILES for (2S)-2-hydroxy-2-methyl-N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]butanamide is CC[C@](C)(O)C(=O)Nc1ccc(-c2ccnc(Cc3ccc(N4CCOCC4)cc3)n2)cc1.
What is the InChIKey of (2S)-2-hydroxy-2-methyl-N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]butanamide?
The InChIKey is DOZSTLVXIQFDHX-SANMLTNESA-N. The full InChI is InChI=1S/C26H30N4O3/c1-3-26(2,32)25(31)28-21-8-6-20(7-9-21)23-12-13-27-24(29-23)18-19-4-10-22(11-5-19)30-14-16-33-17-15-30/h4-13,32H,3,14-18H2,1-2H3,(H,28,31)/t26-/m0/s1.
What are the key properties of (2S)-2-hydroxy-2-methyl-N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]butanamide?
(2S)-2-hydroxy-2-methyl-N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]butanamide has a molecular weight of 446.55 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-methyl-N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]butanamide is sourced from PubChem (CID 69021708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).