4-chloro-N-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine

C10H13ClF3N5 — CID 80847673

IUPAC4-chloro-N-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C10H13ClF3N5/c1-15-8-16-7(11)17-9(18-8)19-4-2-3-6(5-19)10(12,13)14/h6H,2-5H2,1H3,(H,15,16,17,18)
InChIKeyITOPIYSPVUNEKG-UHFFFAOYSA-N
MW295.70 g/mol
LogP2.35
Rot. Bonds2

About 4-chloro-N-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine

4-chloro-N-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine (PubChem CID 80847673) has the molecular formula C10H13ClF3N5 and a molecular weight of 295.70 g/mol. Its IUPAC name is 4-chloro-N-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
PubChem CID80847673
Molecular FormulaC10H13ClF3N5
Molecular Weight295.70 g/mol
Exact Mass295.08
IUPAC Name4-chloro-N-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C10H13ClF3N5/c1-15-8-16-7(11)17-9(18-8)19-4-2-3-6(5-19)10(12,13)14/h6H,2-5H2,1H3,(H,15,16,17,18)
InChIKeyITOPIYSPVUNEKG-UHFFFAOYSA-N
XLogP2.35
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-piperidin-1-yl-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 178294349
4-chloro-N-cyclopropyl-6-(3,5-dimethyl-1-piperidyl)-1,3,5-triazin-2-amine
CID 71598072
CID 60727059
CID 60727059
2,4-Dichloro-6-(3,5-dimethylpiperidin-1-yl)-1,3,5-triazine
CID 60727006
2,4-Dichloro-6-(3-methylpiperidin-1-yl)-1,3,5-triazine
CID 139074922
2,4-Dichloro-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine
CID 60726181
4-chloro-N-methyl-6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 62864231
4-chloro-N-ethyl-6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 62865005
4-chloro-6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 62869894
4-chloro-6-piperidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 63227550
2,4-Dichloro-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine
CID 65530627
4-chloro-N-methyl-6-piperidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 65530812

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine (CID 80847673) is 4-chloro-N-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine is CNc1nc(Cl)nc(N2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of 4-chloro-N-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine?
The InChIKey is ITOPIYSPVUNEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N5/c1-15-8-16-7(11)17-9(18-8)19-4-2-3-6(5-19)10(12,13)14/h6H,2-5H2,1H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine?
4-chloro-N-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 295.70 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 80847673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).