5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

C19H24F3N5O3S — CID 121428449

IUPAC5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESC[C@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)(F)F)cc(C(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C19H24F3N5O3S/c1-11-10-30-6-5-27(11)17-25-14(8-15(26-17)18(2,3)31(4,28)29)12-9-24-16(23)7-13(12)19(20,21)22/h7-9,11H,5-6,10H2,1-4H3,(H2,23,24)/t11-/m0/s1
InChIKeyPGYVMEMTDZQPKR-NSHDSACASA-N
MW459.49 g/mol
LogP2.64
Rot. Bonds4

About 5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 121428449) has the molecular formula C19H24F3N5O3S and a molecular weight of 459.49 g/mol. Its IUPAC name is 5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID121428449
Molecular FormulaC19H24F3N5O3S
Molecular Weight459.49 g/mol
Exact Mass459.16
IUPAC Name5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESC[C@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)(F)F)cc(C(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C19H24F3N5O3S/c1-11-10-30-6-5-27(11)17-25-14(8-15(26-17)18(2,3)31(4,28)29)12-9-24-16(23)7-13(12)19(20,21)22/h7-9,11H,5-6,10H2,1-4H3,(H2,23,24)/t11-/m0/s1
InChIKeyPGYVMEMTDZQPKR-NSHDSACASA-N
XLogP2.64
TPSA111.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.49
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 121428449) is 5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is C[C@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)(F)F)cc(C(C)(C)S(C)(=O)=O)n1.
What is the InChIKey of 5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is PGYVMEMTDZQPKR-NSHDSACASA-N. The full InChI is InChI=1S/C19H24F3N5O3S/c1-11-10-30-6-5-27(11)17-25-14(8-15(26-17)18(2,3)31(4,28)29)12-9-24-16(23)7-13(12)19(20,21)22/h7-9,11H,5-6,10H2,1-4H3,(H2,23,24)/t11-/m0/s1.
What are the key properties of 5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 459.49 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 121428449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).