4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)butanamide

C20H27N5O4S — CID 108800691

IUPAC4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
SMILESCc1cc(C)nc(NCCCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C20H27N5O4S/c1-15-14-16(2)23-20(22-15)21-9-3-4-19(26)24-17-5-7-18(8-6-17)30(27,28)25-10-12-29-13-11-25/h5-8,14H,3-4,9-13H2,1-2H3,(H,24,26)(H,21,22,23)
InChIKeyPYDRXQBIVATOEH-UHFFFAOYSA-N
MW433.53 g/mol
LogP1.95
Rot. Bonds8

About 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)butanamide

4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)butanamide (PubChem CID 108800691) has the molecular formula C20H27N5O4S and a molecular weight of 433.53 g/mol. Its IUPAC name is 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
PubChem CID108800691
Molecular FormulaC20H27N5O4S
Molecular Weight433.53 g/mol
Exact Mass433.18
IUPAC Name4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
SMILESCc1cc(C)nc(NCCCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C20H27N5O4S/c1-15-14-16(2)23-20(22-15)21-9-3-4-19(26)24-17-5-7-18(8-6-17)30(27,28)25-10-12-29-13-11-25/h5-8,14H,3-4,9-13H2,1-2H3,(H,24,26)(H,21,22,23)
InChIKeyPYDRXQBIVATOEH-UHFFFAOYSA-N
XLogP1.95
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 108800741
N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide
CID 17080112
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-sulfamoylphenyl)butanamide
CID 108787748
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
N-(4-morpholin-4-ylsulfonylphenyl)-4-(pentanoylamino)benzamide
CID 2211272
N-(3,4-dimethylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)acetamide
CID 9083306
3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 19061853
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]butanamide
CID 108800716
2-(3-fluoro-4-methylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 9100033
N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 25332078
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2331780

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)butanamide?
The IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)butanamide (CID 108800691) is 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)butanamide.
What is the SMILES notation for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)butanamide?
The canonical SMILES for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)butanamide is Cc1cc(C)nc(NCCCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1.
What is the InChIKey of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)butanamide?
The InChIKey is PYDRXQBIVATOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4S/c1-15-14-16(2)23-20(22-15)21-9-3-4-19(26)24-17-5-7-18(8-6-17)30(27,28)25-10-12-29-13-11-25/h5-8,14H,3-4,9-13H2,1-2H3,(H,24,26)(H,21,22,23).
What are the key properties of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)butanamide?
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)butanamide has a molecular weight of 433.53 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)butanamide is sourced from PubChem (CID 108800691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).