2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide;5-[2-fluoro-4-[2-(oxan-4-ylmethylsulfonyl)-3-pyridinyl]phenyl]pyrimidin-2-amine

C39H37F4N9O6S2 — CID 158276392

IUPAC2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide;5-[2-fluoro-4-[2-(oxan-4-ylmethylsulfonyl)-3-pyridinyl]phenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(-c3ccc(C(F)(F)F)cc3S(=O)(=O)NCCO)cn2)cn1.Nc1ncc(-c2ccc(-c3cccnc3S(=O)(=O)CC3CCOCC3)cc2F)cn1
InChIInChI=1S/C21H21FN4O3S.C18H16F3N5O3S/c22-19-10-15(3-4-17(19)16-11-25-21(23)26-12-16)18-2-1-7-24-20(18)30(27,28)13-14-5-8-29-9-6-14;19-18(20,21)13-2-3-14(16(7-13)30(28,29)26-5-6-27)11-1-4-15(23-8-11)12-9-24-17(22)25-10-12/h1-4,7,10-12,14H,5-6,8-9,13H2,(H2,23,25,26);1-4,7-10,26-27H,5-6H2,(H2,22,24,25)
InChIKeyGJQSTPVDWYEZGX-UHFFFAOYSA-N
MW867.91 g/mol
LogP5.20
Rot. Bonds11

About 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide;5-[2-fluoro-4-[2-(oxan-4-ylmethylsulfonyl)-3-pyridinyl]phenyl]pyrimidin-2-amine

2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide;5-[2-fluoro-4-[2-(oxan-4-ylmethylsulfonyl)-3-pyridinyl]phenyl]pyrimidin-2-amine (PubChem CID 158276392) has the molecular formula C39H37F4N9O6S2 and a molecular weight of 867.91 g/mol. Its IUPAC name is 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide;5-[2-fluoro-4-[2-(oxan-4-ylmethylsulfonyl)-3-pyridinyl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide;5-[2-fluoro-4-[2-(oxan-4-ylmethylsulfonyl)-3-pyridinyl]phenyl]pyrimidin-2-amine
PubChem CID158276392
Molecular FormulaC39H37F4N9O6S2
Molecular Weight867.91 g/mol
Exact Mass867.22
IUPAC Name2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide;5-[2-fluoro-4-[2-(oxan-4-ylmethylsulfonyl)-3-pyridinyl]phenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(-c3ccc(C(F)(F)F)cc3S(=O)(=O)NCCO)cn2)cn1.Nc1ncc(-c2ccc(-c3cccnc3S(=O)(=O)CC3CCOCC3)cc2F)cn1
InChIInChI=1S/C21H21FN4O3S.C18H16F3N5O3S/c22-19-10-15(3-4-17(19)16-11-25-21(23)26-12-16)18-2-1-7-24-20(18)30(27,28)13-14-5-8-29-9-6-14;19-18(20,21)13-2-3-14(16(7-13)30(28,29)26-5-6-27)11-1-4-15(23-8-11)12-9-24-17(22)25-10-12/h1-4,7,10-12,14H,5-6,8-9,13H2,(H2,23,25,26);1-4,7-10,26-27H,5-6H2,(H2,22,24,25)
InChIKeyGJQSTPVDWYEZGX-UHFFFAOYSA-N
XLogP5.20
TPSA239.15 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500867.91
LogP ≤ 55.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide;5-[2-fluoro-4-[2-(oxan-4-ylmethylsulfonyl)-3-pyridinyl]phenyl]pyrimidin-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

2-[4-(5-amino-3-cyanopyrazin-2-yl)-3-fluorophenyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide;5-[4-(2-cyclobutylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine
CID 161080300
2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-3-pyridinyl]-N-(2-hydroxyethyl)benzenesulfonamide
CID 90329774
5-[2-fluoro-4-[2-(oxan-4-ylmethylsulfinyl)-3-pyridinyl]phenyl]pyrimidin-2-amine
CID 138712346
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 90314186
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-(2-methylpropyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 90313500
5-[2-fluoro-4-[2-(oxan-4-ylsulfonyl)-3-pyridinyl]phenyl]pyrazin-2-amine;hydrochloride
CID 90315188
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-cyclopropylbenzenesulfonamide;2,2,2-trifluoroacetic acid
CID 90314561
5-[2-fluoro-4-[2-pyrimidin-2-yloxy-4-(trifluoromethyl)phenyl]phenyl]pyrimidin-2-amine
CID 90314489
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 90314566
2-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylamino]propanoic acid
CID 123453367
2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylacetamide
CID 90313950
5-[2-fluoro-4-[2-(oxan-4-ylmethylsulfinyl)-3-pyridinyl]phenyl]pyrazin-2-amine
CID 137396065

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide;5-[2-fluoro-4-[2-(oxan-4-ylmethylsulfonyl)-3-pyridinyl]phenyl]pyrimidin-2-amine?
The IUPAC name of 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide;5-[2-fluoro-4-[2-(oxan-4-ylmethylsulfonyl)-3-pyridinyl]phenyl]pyrimidin-2-amine (CID 158276392) is 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide;5-[2-fluoro-4-[2-(oxan-4-ylmethylsulfonyl)-3-pyridinyl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide;5-[2-fluoro-4-[2-(oxan-4-ylmethylsulfonyl)-3-pyridinyl]phenyl]pyrimidin-2-amine?
The canonical SMILES for 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide;5-[2-fluoro-4-[2-(oxan-4-ylmethylsulfonyl)-3-pyridinyl]phenyl]pyrimidin-2-amine is Nc1ncc(-c2ccc(-c3ccc(C(F)(F)F)cc3S(=O)(=O)NCCO)cn2)cn1.Nc1ncc(-c2ccc(-c3cccnc3S(=O)(=O)CC3CCOCC3)cc2F)cn1.
What is the InChIKey of 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide;5-[2-fluoro-4-[2-(oxan-4-ylmethylsulfonyl)-3-pyridinyl]phenyl]pyrimidin-2-amine?
The InChIKey is GJQSTPVDWYEZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3S.C18H16F3N5O3S/c22-19-10-15(3-4-17(19)16-11-25-21(23)26-12-16)18-2-1-7-24-20(18)30(27,28)13-14-5-8-29-9-6-14;19-18(20,21)13-2-3-14(16(7-13)30(28,29)26-5-6-27)11-1-4-15(23-8-11)12-9-24-17(22)25-10-12/h1-4,7,10-12,14H,5-6,8-9,13H2,(H2,23,25,26);1-4,7-10,26-27H,5-6H2,(H2,22,24,25).
What are the key properties of 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide;5-[2-fluoro-4-[2-(oxan-4-ylmethylsulfonyl)-3-pyridinyl]phenyl]pyrimidin-2-amine?
2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide;5-[2-fluoro-4-[2-(oxan-4-ylmethylsulfonyl)-3-pyridinyl]phenyl]pyrimidin-2-amine has a molecular weight of 867.91 g/mol, XLogP of 5.20, 11 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide;5-[2-fluoro-4-[2-(oxan-4-ylmethylsulfonyl)-3-pyridinyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 158276392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).