N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenoxyacetamide

C18H24N6O2 — CID 122254169

IUPACN-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenoxyacetamide
SMILESCN(C)c1nc(CNC(=O)COc2ccccc2)nc(N2CCCC2)n1
InChIInChI=1S/C18H24N6O2/c1-23(2)17-20-15(21-18(22-17)24-10-6-7-11-24)12-19-16(25)13-26-14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3,(H,19,25)
InChIKeyYMQIRAUHKHPDCI-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.23
Rot. Bonds7

About N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenoxyacetamide

N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenoxyacetamide (PubChem CID 122254169) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenoxyacetamide
PubChem CID122254169
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC NameN-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenoxyacetamide
SMILESCN(C)c1nc(CNC(=O)COc2ccccc2)nc(N2CCCC2)n1
InChIInChI=1S/C18H24N6O2/c1-23(2)17-20-15(21-18(22-17)24-10-6-7-11-24)12-19-16(25)13-26-14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3,(H,19,25)
InChIKeyYMQIRAUHKHPDCI-UHFFFAOYSA-N
XLogP1.23
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-phenoxyacetamide
CID 122352239
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-phenoxyacetamide
CID 72718308
N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide
CID 122254556
N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122254615
1-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-(2-ethoxyphenyl)urea
CID 121016894
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-(3-methylthiophen-2-yl)propanamide
CID 122254357
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenyltriazole-4-carboxamide
CID 121137964
N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 122254609
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-2-carboxamide
CID 122254172
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-9H-xanthene-9-carboxamide
CID 122254285
N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenyltriazole-4-carboxamide
CID 122254538
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzamide
CID 121137983

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenoxyacetamide?
The IUPAC name of N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenoxyacetamide (CID 122254169) is N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenoxyacetamide is CN(C)c1nc(CNC(=O)COc2ccccc2)nc(N2CCCC2)n1.
What is the InChIKey of N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenoxyacetamide?
The InChIKey is YMQIRAUHKHPDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-23(2)17-20-15(21-18(22-17)24-10-6-7-11-24)12-19-16(25)13-26-14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3,(H,19,25).
What are the key properties of N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenoxyacetamide?
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenoxyacetamide has a molecular weight of 356.43 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenoxyacetamide is sourced from PubChem (CID 122254169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).