4-chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-ethylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylpyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine

C70H93ClF3N21O12S4 — CID 159609430

IUPAC4-chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-ethylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylpyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)(c1cc(-c2ccc(N)nc2)nc(N2CCOCC2)n1)S(C)(=O)=O.CC(C)(c1cc(-c2cnc(N)cc2Cl)nc(N2CCOCC2)n1)S(C)(=O)=O.CC(C)(c1cc(-c2cnc(N)nc2C(F)(F)F)nc(N2CCOCC2)n1)S(C)(=O)=O.CCS(=O)(=O)C(C)(C)c1cc(-c2cnc(N)cc2C)nc(N2CCOCC2)n1
InChIInChI=1S/C19H27N5O3S.C17H22ClN5O3S.C17H21F3N6O3S.C17H23N5O3S/c1-5-28(25,26)19(3,4)16-11-15(14-12-21-17(20)10-13(14)2)22-18(23-16)24-6-8-27-9-7-24;1-17(2,27(3,24)25)14-9-13(11-10-20-15(19)8-12(11)18)21-16(22-14)23-4-6-26-7-5-23;1-16(2,30(3,27)28)12-8-11(23-15(24-12)26-4-6-29-7-5-26)10-9-22-14(21)25-13(10)17(18,19)20;1-17(2,26(3,23)24)14-10-13(12-4-5-15(18)19-11-12)20-16(21-14)22-6-8-25-9-7-22/h10-12H,5-9H2,1-4H3,(H2,20,21);8-10H,4-7H2,1-3H3,(H2,19,20);8-9H,4-7H2,1-3H3,(H2,21,22,25);4-5,10-11H,6-9H2,1-3H3,(H2,18,19)
InChIKeyMMMJXADNQGOHKC-UHFFFAOYSA-N
MW1641.36 g/mol
LogP6.71
Rot. Bonds17

About 4-chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-ethylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylpyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine

4-chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-ethylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylpyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 159609430) has the molecular formula C70H93ClF3N21O12S4 and a molecular weight of 1641.36 g/mol. Its IUPAC name is 4-chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-ethylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylpyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-ethylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylpyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID159609430
Molecular FormulaC70H93ClF3N21O12S4
Molecular Weight1641.36 g/mol
Exact Mass1639.58
IUPAC Name4-chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-ethylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylpyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)(c1cc(-c2ccc(N)nc2)nc(N2CCOCC2)n1)S(C)(=O)=O.CC(C)(c1cc(-c2cnc(N)cc2Cl)nc(N2CCOCC2)n1)S(C)(=O)=O.CC(C)(c1cc(-c2cnc(N)nc2C(F)(F)F)nc(N2CCOCC2)n1)S(C)(=O)=O.CCS(=O)(=O)C(C)(C)c1cc(-c2cnc(N)cc2C)nc(N2CCOCC2)n1
InChIInChI=1S/C19H27N5O3S.C17H22ClN5O3S.C17H21F3N6O3S.C17H23N5O3S/c1-5-28(25,26)19(3,4)16-11-15(14-12-21-17(20)10-13(14)2)22-18(23-16)24-6-8-27-9-7-24;1-17(2,27(3,24)25)14-9-13(11-10-20-15(19)8-12(11)18)21-16(22-14)23-4-6-26-7-5-23;1-16(2,30(3,27)28)12-8-11(23-15(24-12)26-4-6-29-7-5-26)10-9-22-14(21)25-13(10)17(18,19)20;1-17(2,26(3,23)24)14-10-13(12-4-5-15(18)19-11-12)20-16(21-14)22-6-8-25-9-7-22/h10-12H,5-9H2,1-4H3,(H2,20,21);8-10H,4-7H2,1-3H3,(H2,19,20);8-9H,4-7H2,1-3H3,(H2,21,22,25);4-5,10-11H,6-9H2,1-3H3,(H2,18,19)
InChIKeyMMMJXADNQGOHKC-UHFFFAOYSA-N
XLogP6.71
TPSA458.09 Ų
H-Bond Donors4
H-Bond Acceptors33
Rotatable Bonds17
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001641.36
LogP ≤ 56.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1033

Analyze 4-chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-ethylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylpyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

5-[6-(2-Methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428440
5-[6-[Fluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428442
5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428449
5-[6-[2-(Benzenesulfonyl)propan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428457
5-[6-[Difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428461
5-[2-Morpholin-4-yl-6-(2-propan-2-ylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428467
5-[6-(2-Ethylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428468
5-[6-(1-Methylsulfonylcyclohexyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428502
5-[2-Morpholin-4-yl-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428506
5-[6-(1-Ethylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428508
5-[6-(2-Methyl-1-methylsulfonylpropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428563
5-[6-(Methylsulfonylmethyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428640

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-ethylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylpyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-ethylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylpyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 159609430) is 4-chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-ethylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylpyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-ethylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylpyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-ethylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylpyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine is CC(C)(c1cc(-c2ccc(N)nc2)nc(N2CCOCC2)n1)S(C)(=O)=O.CC(C)(c1cc(-c2cnc(N)cc2Cl)nc(N2CCOCC2)n1)S(C)(=O)=O.CC(C)(c1cc(-c2cnc(N)nc2C(F)(F)F)nc(N2CCOCC2)n1)S(C)(=O)=O.CCS(=O)(=O)C(C)(C)c1cc(-c2cnc(N)cc2C)nc(N2CCOCC2)n1.
What is the InChIKey of 4-chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-ethylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylpyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is MMMJXADNQGOHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3S.C17H22ClN5O3S.C17H21F3N6O3S.C17H23N5O3S/c1-5-28(25,26)19(3,4)16-11-15(14-12-21-17(20)10-13(14)2)22-18(23-16)24-6-8-27-9-7-24;1-17(2,27(3,24)25)14-9-13(11-10-20-15(19)8-12(11)18)21-16(22-14)23-4-6-26-7-5-23;1-16(2,30(3,27)28)12-8-11(23-15(24-12)26-4-6-29-7-5-26)10-9-22-14(21)25-13(10)17(18,19)20;1-17(2,26(3,23)24)14-10-13(12-4-5-15(18)19-11-12)20-16(21-14)22-6-8-25-9-7-22/h10-12H,5-9H2,1-4H3,(H2,20,21);8-10H,4-7H2,1-3H3,(H2,19,20);8-9H,4-7H2,1-3H3,(H2,21,22,25);4-5,10-11H,6-9H2,1-3H3,(H2,18,19).
What are the key properties of 4-chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-ethylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylpyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
4-chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-ethylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylpyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 1641.36 g/mol, XLogP of 6.71, 17 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-ethylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylpyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 159609430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).