2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide

C19H27N7O2 — CID 71915179

IUPAC2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1nc(N(C)C)nc(N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C19H27N7O2/c1-14-20-18(24(2)3)23-19(21-14)25(4)13-17(27)22-15-5-7-16(8-6-15)26-9-11-28-12-10-26/h5-8H,9-13H2,1-4H3,(H,22,27)
InChIKeyCBKOXLHKFCNHLV-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.16
Rot. Bonds6

About 2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 71915179) has the molecular formula C19H27N7O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID71915179
Molecular FormulaC19H27N7O2
Molecular Weight385.47 g/mol
Exact Mass385.22
IUPAC Name2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1nc(N(C)C)nc(N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C19H27N7O2/c1-14-20-18(24(2)3)23-19(21-14)25(4)13-17(27)22-15-5-7-16(8-6-15)26-9-11-28-12-10-26/h5-8H,9-13H2,1-4H3,(H,22,27)
InChIKeyCBKOXLHKFCNHLV-UHFFFAOYSA-N
XLogP1.16
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 8592798
N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 7551211
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4818824
2-[methyl-[2-(4-methylsulfanylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55464363
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8592818
2-[[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55591008
2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 133447108
2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4806660
2-[methyl-[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55464279
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592084
2-[methyl(thiophen-2-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592090

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 71915179) is 2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide is Cc1nc(N(C)C)nc(N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)n1.
What is the InChIKey of 2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is CBKOXLHKFCNHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O2/c1-14-20-18(24(2)3)23-19(21-14)25(4)13-17(27)22-15-5-7-16(8-6-15)26-9-11-28-12-10-26/h5-8H,9-13H2,1-4H3,(H,22,27).
What are the key properties of 2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 385.47 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 71915179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).