2-[(4-amino-6-cyclohexyl-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C13H19F3N6O — CID 167809645

IUPAC2-[(4-amino-6-cyclohexyl-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNc1nc(NCC(=O)NCC(F)(F)F)nc(C2CCCCC2)n1
InChIInChI=1S/C13H19F3N6O/c14-13(15,16)7-19-9(23)6-18-12-21-10(20-11(17)22-12)8-4-2-1-3-5-8/h8H,1-7H2,(H,19,23)(H3,17,18,20,21,22)
InChIKeyABLSSVOQTINLGL-UHFFFAOYSA-N
MW332.33 g/mol
LogP1.59
Rot. Bonds5

About 2-[(4-amino-6-cyclohexyl-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(4-amino-6-cyclohexyl-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 167809645) has the molecular formula C13H19F3N6O and a molecular weight of 332.33 g/mol. Its IUPAC name is 2-[(4-amino-6-cyclohexyl-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-6-cyclohexyl-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID167809645
Molecular FormulaC13H19F3N6O
Molecular Weight332.33 g/mol
Exact Mass332.16
IUPAC Name2-[(4-amino-6-cyclohexyl-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNc1nc(NCC(=O)NCC(F)(F)F)nc(C2CCCCC2)n1
InChIInChI=1S/C13H19F3N6O/c14-13(15,16)7-19-9(23)6-18-12-21-10(20-11(17)22-12)8-4-2-1-3-5-8/h8H,1-7H2,(H,19,23)(H3,17,18,20,21,22)
InChIKeyABLSSVOQTINLGL-UHFFFAOYSA-N
XLogP1.59
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-cyclohexyl-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(4-amino-6-cyclohexyl-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 167809645) is 2-[(4-amino-6-cyclohexyl-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(4-amino-6-cyclohexyl-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(4-amino-6-cyclohexyl-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is Nc1nc(NCC(=O)NCC(F)(F)F)nc(C2CCCCC2)n1.
What is the InChIKey of 2-[(4-amino-6-cyclohexyl-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ABLSSVOQTINLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N6O/c14-13(15,16)7-19-9(23)6-18-12-21-10(20-11(17)22-12)8-4-2-1-3-5-8/h8H,1-7H2,(H,19,23)(H3,17,18,20,21,22).
What are the key properties of 2-[(4-amino-6-cyclohexyl-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(4-amino-6-cyclohexyl-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 332.33 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-cyclohexyl-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 167809645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).