5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

C16H16F5N5O3S — CID 121428461

IUPAC5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCS(=O)(=O)C(F)(F)c1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C16H16F5N5O3S/c1-30(27,28)16(20,21)12-7-11(24-14(25-12)26-2-4-29-5-3-26)9-8-23-13(22)6-10(9)15(17,18)19/h6-8H,2-5H2,1H3,(H2,22,23)
InChIKeyXSWANOZVULVFKR-UHFFFAOYSA-N
MW453.39 g/mol
LogP2.07
Rot. Bonds4

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

5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 121428461) has the molecular formula C16H16F5N5O3S and a molecular weight of 453.39 g/mol. Its IUPAC name is 5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID121428461
Molecular FormulaC16H16F5N5O3S
Molecular Weight453.39 g/mol
Exact Mass453.09
IUPAC Name5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCS(=O)(=O)C(F)(F)c1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C16H16F5N5O3S/c1-30(27,28)16(20,21)12-7-11(24-14(25-12)26-2-4-29-5-3-26)9-8-23-13(22)6-10(9)15(17,18)19/h6-8H,2-5H2,1H3,(H2,22,23)
InChIKeyXSWANOZVULVFKR-UHFFFAOYSA-N
XLogP2.07
TPSA111.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
5-(4,6-Dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 25009673
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
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
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
4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 121334370
4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
CID 121334420

Frequently Asked Questions

What is the IUPAC name of 5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 121428461) is 5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is CS(=O)(=O)C(F)(F)c1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1.
What is the InChIKey of 5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is XSWANOZVULVFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F5N5O3S/c1-30(27,28)16(20,21)12-7-11(24-14(25-12)26-2-4-29-5-3-26)9-8-23-13(22)6-10(9)15(17,18)19/h6-8H,2-5H2,1H3,(H2,22,23).
What are the key properties of 5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 453.39 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 121428461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).