4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine

C10H13ClF3N5O — CID 137453906

IUPAC4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESC[C@@H]1COCCN1c1nc(Cl)nc(NCC(F)(F)F)n1
InChIInChI=1S/C10H13ClF3N5O/c1-6-4-20-3-2-19(6)9-17-7(11)16-8(18-9)15-5-10(12,13)14/h6H,2-5H2,1H3,(H,15,16,17,18)/t6-/m1/s1
InChIKeyRWTDHXCZPYXKLC-ZCFIWIBFSA-N
MW311.70 g/mol
LogP1.72
Rot. Bonds3

About 4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine

4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (PubChem CID 137453906) has the molecular formula C10H13ClF3N5O and a molecular weight of 311.70 g/mol. Its IUPAC name is 4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
PubChem CID137453906
Molecular FormulaC10H13ClF3N5O
Molecular Weight311.70 g/mol
Exact Mass311.08
IUPAC Name4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESC[C@@H]1COCCN1c1nc(Cl)nc(NCC(F)(F)F)n1
InChIInChI=1S/C10H13ClF3N5O/c1-6-4-20-3-2-19(6)9-17-7(11)16-8(18-9)15-5-10(12,13)14/h6H,2-5H2,1H3,(H,15,16,17,18)/t6-/m1/s1
InChIKeyRWTDHXCZPYXKLC-ZCFIWIBFSA-N
XLogP1.72
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.70
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (CID 137453906) is 4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is C[C@@H]1COCCN1c1nc(Cl)nc(NCC(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The InChIKey is RWTDHXCZPYXKLC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H13ClF3N5O/c1-6-4-20-3-2-19(6)9-17-7(11)16-8(18-9)15-5-10(12,13)14/h6H,2-5H2,1H3,(H,15,16,17,18)/t6-/m1/s1.
What are the key properties of 4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine has a molecular weight of 311.70 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 137453906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).