5-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine

C17H21F3N8O2 — CID 137453918

IUPAC5-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESC[C@H]1COCCN1c1nc(-c2cnc(N)nc2C(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C17H21F3N8O2/c1-10-9-30-7-4-28(10)16-25-13(24-15(26-16)27-2-5-29-6-3-27)11-8-22-14(21)23-12(11)17(18,19)20/h8,10H,2-7,9H2,1H3,(H2,21,22,23)/t10-/m0/s1
InChIKeyWPMIJNLOGULSRQ-JTQLQIEISA-N
MW426.40 g/mol
LogP0.99
Rot. Bonds3

About 5-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine

5-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 137453918) has the molecular formula C17H21F3N8O2 and a molecular weight of 426.40 g/mol. Its IUPAC name is 5-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID137453918
Molecular FormulaC17H21F3N8O2
Molecular Weight426.40 g/mol
Exact Mass426.17
IUPAC Name5-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESC[C@H]1COCCN1c1nc(-c2cnc(N)nc2C(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C17H21F3N8O2/c1-10-9-30-7-4-28(10)16-25-13(24-15(26-16)27-2-5-29-6-3-27)11-8-22-14(21)23-12(11)17(18,19)20/h8,10H,2-7,9H2,1H3,(H2,21,22,23)/t10-/m0/s1
InChIKeyWPMIJNLOGULSRQ-JTQLQIEISA-N
XLogP0.99
TPSA115.41 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 5-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 137453918) is 5-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 5-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine is C[C@H]1COCCN1c1nc(-c2cnc(N)nc2C(F)(F)F)nc(N2CCOCC2)n1.
What is the InChIKey of 5-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is WPMIJNLOGULSRQ-JTQLQIEISA-N. The full InChI is InChI=1S/C17H21F3N8O2/c1-10-9-30-7-4-28(10)16-25-13(24-15(26-16)27-2-5-29-6-3-27)11-8-22-14(21)23-12(11)17(18,19)20/h8,10H,2-7,9H2,1H3,(H2,21,22,23)/t10-/m0/s1.
What are the key properties of 5-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
5-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 426.40 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 137453918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).