4-chloro-6-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3,5-triazin-2-amine

C11H15ClF3N5O — CID 62859660

IUPAC4-chloro-6-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NCC2CCN(CC(F)(F)F)C2)n1
InChIInChI=1S/C11H15ClF3N5O/c1-21-10-18-8(12)17-9(19-10)16-4-7-2-3-20(5-7)6-11(13,14)15/h7H,2-6H2,1H3,(H,16,17,18,19)
InChIKeyIQKNZGXHMPRPBE-UHFFFAOYSA-N
MW325.72 g/mol
LogP1.83
Rot. Bonds5

About 4-chloro-6-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3,5-triazin-2-amine

4-chloro-6-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3,5-triazin-2-amine (PubChem CID 62859660) has the molecular formula C11H15ClF3N5O and a molecular weight of 325.72 g/mol. Its IUPAC name is 4-chloro-6-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3,5-triazin-2-amine
PubChem CID62859660
Molecular FormulaC11H15ClF3N5O
Molecular Weight325.72 g/mol
Exact Mass325.09
IUPAC Name4-chloro-6-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NCC2CCN(CC(F)(F)F)C2)n1
InChIInChI=1S/C11H15ClF3N5O/c1-21-10-18-8(12)17-9(19-10)16-4-7-2-3-20(5-7)6-11(13,14)15/h7H,2-6H2,1H3,(H,16,17,18,19)
InChIKeyIQKNZGXHMPRPBE-UHFFFAOYSA-N
XLogP1.83
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.72
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3,5-triazin-2-amine (CID 62859660) is 4-chloro-6-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3,5-triazin-2-amine is COc1nc(Cl)nc(NCC2CCN(CC(F)(F)F)C2)n1.
What is the InChIKey of 4-chloro-6-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3,5-triazin-2-amine?
The InChIKey is IQKNZGXHMPRPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3N5O/c1-21-10-18-8(12)17-9(19-10)16-4-7-2-3-20(5-7)6-11(13,14)15/h7H,2-6H2,1H3,(H,16,17,18,19).
What are the key properties of 4-chloro-6-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3,5-triazin-2-amine?
4-chloro-6-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3,5-triazin-2-amine has a molecular weight of 325.72 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 62859660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).