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

C11H17F3N6O — CID 122254089

IUPACN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide
SMILESCN(C)c1nc(CNC(=O)CC(F)(F)F)nc(N(C)C)n1
InChIInChI=1S/C11H17F3N6O/c1-19(2)9-16-7(17-10(18-9)20(3)4)6-15-8(21)5-11(12,13)14/h5-6H2,1-4H3,(H,15,21)
InChIKeyGPCRXOIOWKYOJV-UHFFFAOYSA-N
MW306.29 g/mol
LogP0.57
Rot. Bonds5

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

N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide (PubChem CID 122254089) has the molecular formula C11H17F3N6O and a molecular weight of 306.29 g/mol. Its IUPAC name is N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide
PubChem CID122254089
Molecular FormulaC11H17F3N6O
Molecular Weight306.29 g/mol
Exact Mass306.14
IUPAC NameN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide
SMILESCN(C)c1nc(CNC(=O)CC(F)(F)F)nc(N(C)C)n1
InChIInChI=1S/C11H17F3N6O/c1-19(2)9-16-7(17-10(18-9)20(3)4)6-15-8(21)5-11(12,13)14/h5-6H2,1-4H3,(H,15,21)
InChIKeyGPCRXOIOWKYOJV-UHFFFAOYSA-N
XLogP0.57
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide with MolForge

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Related Compounds

1-[4-Amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-4-methyl-1,4-diazepan-5-one
CID 138032114
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 75421493
1-[4-[1-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 86868070
3,3,3-trifluoro-N-((4-methoxy-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl)methyl)propanamide
CID 121137676
3,3,3-trifluoro-N-((4-methoxy-6-morpholino-1,3,5-triazin-2-yl)methyl)propanamide
CID 121137801
N-((4-(dimethylamino)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl)methyl)-3,3,3-trifluoropropanamide
CID 121137996
N-((4-(dimethylamino)-6-morpholino-1,3,5-triazin-2-yl)methyl)-3,3,3-trifluoropropanamide
CID 121138114
N-((4,6-dimethoxy-1,3,5-triazin-2-yl)methyl)-3,3,3-trifluoropropanamide
CID 122252814
N-((4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl)methyl)-3,3,3-trifluoropropanamide
CID 122253025
3,3,3-trifluoro-N-((4-methoxy-6-(piperidin-1-yl)-1,3,5-triazin-2-yl)methyl)propanamide
CID 122253603
N-((4-(dimethylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl)methyl)-3,3,3-trifluoropropanamide
CID 122254620
N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]propyl]-2,2,2-trifluoroacetamide
CID 132376487

Frequently Asked Questions

What is the IUPAC name of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide (CID 122254089) is N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide is CN(C)c1nc(CNC(=O)CC(F)(F)F)nc(N(C)C)n1.
What is the InChIKey of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide?
The InChIKey is GPCRXOIOWKYOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N6O/c1-19(2)9-16-7(17-10(18-9)20(3)4)6-15-8(21)5-11(12,13)14/h5-6H2,1-4H3,(H,15,21).
What are the key properties of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide?
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide has a molecular weight of 306.29 g/mol, XLogP of 0.57, 5 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]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 122254089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).