N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide

C17H24N6O — CID 121137861

IUPACN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCc2nc(N(C)C)nc(N(C)C)n2)c1
InChIInChI=1S/C17H24N6O/c1-12-7-6-8-13(9-12)10-15(24)18-11-14-19-16(22(2)3)21-17(20-14)23(4)5/h6-9H,10-11H2,1-5H3,(H,18,24)
InChIKeyQUKUAUJCHFCKOR-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.17
Rot. Bonds6

About N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide

N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide (PubChem CID 121137861) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide
PubChem CID121137861
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCc2nc(N(C)C)nc(N(C)C)n2)c1
InChIInChI=1S/C17H24N6O/c1-12-7-6-8-13(9-12)10-15(24)18-11-14-19-16(22(2)3)21-17(20-14)23(4)5/h6-9H,10-11H2,1-5H3,(H,18,24)
InChIKeyQUKUAUJCHFCKOR-UHFFFAOYSA-N
XLogP1.17
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide
CID 122254556
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 122253969
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(2-chlorophenyl)acetamide
CID 121137847
2-(3-methylphenyl)-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]acetamide
CID 112992263
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-methylbenzamide
CID 122254152
3-[[[2-(3-methylphenyl)acetyl]amino]methyl]benzoic acid
CID 62388861
2-(3-methylphenyl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263317
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112992570
2-(3-methylphenyl)-N-(quinolin-3-ylmethyl)acetamide
CID 110733803
N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylacetamide
CID 50755617
N-(furan-2-ylmethyl)-2-(3-methylphenyl)acetamide
CID 6466784

Frequently Asked Questions

What is the IUPAC name of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide (CID 121137861) is N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NCc2nc(N(C)C)nc(N(C)C)n2)c1.
What is the InChIKey of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide?
The InChIKey is QUKUAUJCHFCKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-12-7-6-8-13(9-12)10-15(24)18-11-14-19-16(22(2)3)21-17(20-14)23(4)5/h6-9H,10-11H2,1-5H3,(H,18,24).
What are the key properties of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide?
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide has a molecular weight of 328.42 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 121137861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).