5-[6-[1-(benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

C23H22F3N5O3S — CID 121428564

IUPAC5-[6-[1-(benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(C3(S(=O)(=O)c4ccccc4)CC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C23H22F3N5O3S/c24-23(25,26)17-12-20(27)28-14-16(17)18-13-19(30-21(29-18)31-8-10-34-11-9-31)22(6-7-22)35(32,33)15-4-2-1-3-5-15/h1-5,12-14H,6-11H2,(H2,27,28)
InChIKeyBZQORGLFNJKNSD-UHFFFAOYSA-N
MW505.52 g/mol
LogP3.44
Rot. Bonds5

About 5-[6-[1-(benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

5-[6-[1-(benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 121428564) has the molecular formula C23H22F3N5O3S and a molecular weight of 505.52 g/mol. Its IUPAC name is 5-[6-[1-(benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[6-[1-(benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID121428564
Molecular FormulaC23H22F3N5O3S
Molecular Weight505.52 g/mol
Exact Mass505.14
IUPAC Name5-[6-[1-(benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(C3(S(=O)(=O)c4ccccc4)CC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C23H22F3N5O3S/c24-23(25,26)17-12-20(27)28-14-16(17)18-13-19(30-21(29-18)31-8-10-34-11-9-31)22(6-7-22)35(32,33)15-4-2-1-3-5-15/h1-5,12-14H,6-11H2,(H2,27,28)
InChIKeyBZQORGLFNJKNSD-UHFFFAOYSA-N
XLogP3.44
TPSA111.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.52
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[6-[1-(benzenesulfonyl)cyclopropyl]-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
(3R,4S)-1-{6-[3-(morpholine-4-sulfonyl)phenyl]pyrimidin-4-yl}-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 23647110
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
4-(6-(4-(2-Isopropyl-phenylsulfanyl)-3-trifluoromethyl-phenyl)-pyrimidin-4-yl)-morpholine
CID 21906815
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
4-(4-(4-(Morpholinosulfonyl)phenyl)pyrimidin-2-ylamino)piperidine-1-sulfonamide
CID 54586040
US9676721, 57 2-cyano-1-({4-[6-(morpholin-4-yl)pyridine-3-sulfonyl]phenyl}methyl)-3-(pyridin-4-yl)guanidine
CID 56929356
1-methyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6-(pyridin-4-ylsulfonylmethyl)pyrimidin-2-yl]phenyl]urea
CID 57427643
2-[4-[[4-(5-Methylsulfonylpyridin-2-yl)cyclohexyl]oxymethyl]piperidin-1-yl]-5-(trifluoromethyl)pyrimidine
CID 66556631
2-[4-[[4-(2-Methyl-6-methylsulfonylpyridin-3-yl)cyclohexyl]oxymethyl]piperidin-1-yl]-5-(trifluoromethyl)pyrimidine
CID 66556985
1-methyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6-(1-pyridin-4-ylsulfonylcyclopropyl)pyrimidin-2-yl]phenyl]urea
CID 68842025
4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 78324544

Frequently Asked Questions

What is the IUPAC name of 5-[6-[1-(benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[6-[1-(benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 121428564) is 5-[6-[1-(benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[6-[1-(benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[6-[1-(benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)c(-c2cc(C3(S(=O)(=O)c4ccccc4)CC3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 5-[6-[1-(benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BZQORGLFNJKNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O3S/c24-23(25,26)17-12-20(27)28-14-16(17)18-13-19(30-21(29-18)31-8-10-34-11-9-31)22(6-7-22)35(32,33)15-4-2-1-3-5-15/h1-5,12-14H,6-11H2,(H2,27,28).
What are the key properties of 5-[6-[1-(benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
5-[6-[1-(benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 505.52 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[1-(benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 121428564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).