5-[6-(methylsulfonylmethyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

C16H18F3N5O3S — CID 121428640

IUPAC5-[6-(methylsulfonylmethyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCS(=O)(=O)Cc1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C16H18F3N5O3S/c1-28(25,26)9-10-6-13(23-15(22-10)24-2-4-27-5-3-24)11-8-21-14(20)7-12(11)16(17,18)19/h6-8H,2-5,9H2,1H3,(H2,20,21)
InChIKeyIPAWIEAHHPWPAU-UHFFFAOYSA-N
MW417.41 g/mol
LogP1.52
Rot. Bonds4

About 5-[6-(methylsulfonylmethyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

5-[6-(methylsulfonylmethyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 121428640) has the molecular formula C16H18F3N5O3S and a molecular weight of 417.41 g/mol. Its IUPAC name is 5-[6-(methylsulfonylmethyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[6-(methylsulfonylmethyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID121428640
Molecular FormulaC16H18F3N5O3S
Molecular Weight417.41 g/mol
Exact Mass417.11
IUPAC Name5-[6-(methylsulfonylmethyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCS(=O)(=O)Cc1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C16H18F3N5O3S/c1-28(25,26)9-10-6-13(23-15(22-10)24-2-4-27-5-3-24)11-8-21-14(20)7-12(11)16(17,18)19/h6-8H,2-5,9H2,1H3,(H2,20,21)
InChIKeyIPAWIEAHHPWPAU-UHFFFAOYSA-N
XLogP1.52
TPSA111.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Buparlisib
CID 16654980
Alnodesertib
CID 145766632
4-[(18E)-16-methylsulfonyl-6-(trifluoromethyl)-2,4,8,14,16,25-hexazatetracyclo[18.3.1.13,7.010,15]pentacosa-1(24),3,5,7(25),10(15),11,13,18,20,22-decaen-21-yl]morpholine
CID 134156043
N,N-dimethyl-4-(2-morpholino-7-(3-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-ylamino)benzenesulfonamide
CID 52944808
1-methyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6-(pyridin-4-ylsulfonylmethyl)pyrimidin-2-yl]phenyl]urea
CID 57427643
4-[6-(methylsulfonylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine
CID 58137055
5-(2,6-Dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 59507767
5-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 59507962
4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 78320151
4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 78324544
5-[2-(4-Methylsulfonylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 78324545
2-Amino-4-(trifluoromethyl)-5-[2-(2alpha,6alpha-dimethylmorpholine-4-yl)-4-morpholinopyrimidine-6-yl]pyridine
CID 78324546

Frequently Asked Questions

What is the IUPAC name of 5-[6-(methylsulfonylmethyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[6-(methylsulfonylmethyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 121428640) is 5-[6-(methylsulfonylmethyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[6-(methylsulfonylmethyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[6-(methylsulfonylmethyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is CS(=O)(=O)Cc1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1.
What is the InChIKey of 5-[6-(methylsulfonylmethyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is IPAWIEAHHPWPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O3S/c1-28(25,26)9-10-6-13(23-15(22-10)24-2-4-27-5-3-24)11-8-21-14(20)7-12(11)16(17,18)19/h6-8H,2-5,9H2,1H3,(H2,20,21).
What are the key properties of 5-[6-(methylsulfonylmethyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
5-[6-(methylsulfonylmethyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 417.41 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(methylsulfonylmethyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 121428640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).