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

C13H19F3N6O — CID 121137996

IUPACN-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide
SMILESCN(C)c1nc(CNC(=O)CC(F)(F)F)nc(N2CCCC2)n1
InChIInChI=1S/C13H19F3N6O/c1-21(2)11-18-9(8-17-10(23)7-13(14,15)16)19-12(20-11)22-5-3-4-6-22/h3-8H2,1-2H3,(H,17,23)
InChIKeyLVBRNANHYMQRBI-UHFFFAOYSA-N
MW332.33 g/mol
LogP1.11
Rot. Bonds5

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

N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide (PubChem CID 121137996) has the molecular formula C13H19F3N6O and a molecular weight of 332.33 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide
PubChem CID121137996
Molecular FormulaC13H19F3N6O
Molecular Weight332.33 g/mol
Exact Mass332.16
IUPAC NameN-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide
SMILESCN(C)c1nc(CNC(=O)CC(F)(F)F)nc(N2CCCC2)n1
InChIInChI=1S/C13H19F3N6O/c1-21(2)11-18-9(8-17-10(23)7-13(14,15)16)19-12(20-11)22-5-3-4-6-22/h3-8H2,1-2H3,(H,17,23)
InChIKeyLVBRNANHYMQRBI-UHFFFAOYSA-N
XLogP1.11
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide (CID 121137996) is N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide is CN(C)c1nc(CNC(=O)CC(F)(F)F)nc(N2CCCC2)n1.
What is the InChIKey of N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide?
The InChIKey is LVBRNANHYMQRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N6O/c1-21(2)11-18-9(8-17-10(23)7-13(14,15)16)19-12(20-11)22-5-3-4-6-22/h3-8H2,1-2H3,(H,17,23).
What are the key properties of N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide?
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide has a molecular weight of 332.33 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 121137996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).