4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;4-[4-chloro-6-(2-methylsulfonylpropan-2-yl)pyrimidin-2-yl]morpholine

C39H54Cl3N11O9S3 — CID 157495961

IUPAC4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;4-[4-chloro-6-(2-methylsulfonylpropan-2-yl)pyrimidin-2-yl]morpholine
SMILESCC(C)(c1cc(-c2cnc(N)cc2Cl)nc(N2CCOCC2)n1)S(C)(=O)=O.CC(C)(c1cc(Cl)nc(N2CCOCC2)n1)S(C)(=O)=O.CS(=O)(=O)Cc1cc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C17H22ClN5O3S.C12H18ClN3O3S.C10H14ClN3O3S/c1-17(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;1-12(2,20(3,17)18)9-8-10(13)15-11(14-9)16-4-6-19-7-5-16;1-18(15,16)7-8-6-9(11)13-10(12-8)14-2-4-17-5-3-14/h8-10H,4-7H2,1-3H3,(H2,19,20);8H,4-7H2,1-3H3;6H,2-5,7H2,1H3
InChIKeyBXVKWYPKJBXBCL-UHFFFAOYSA-N
MW1023.49 g/mol
LogP3.65
Rot. Bonds10

About 4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;4-[4-chloro-6-(2-methylsulfonylpropan-2-yl)pyrimidin-2-yl]morpholine

4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;4-[4-chloro-6-(2-methylsulfonylpropan-2-yl)pyrimidin-2-yl]morpholine (PubChem CID 157495961) has the molecular formula C39H54Cl3N11O9S3 and a molecular weight of 1023.49 g/mol. Its IUPAC name is 4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;4-[4-chloro-6-(2-methylsulfonylpropan-2-yl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;4-[4-chloro-6-(2-methylsulfonylpropan-2-yl)pyrimidin-2-yl]morpholine
PubChem CID157495961
Molecular FormulaC39H54Cl3N11O9S3
Molecular Weight1023.49 g/mol
Exact Mass1021.23
IUPAC Name4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;4-[4-chloro-6-(2-methylsulfonylpropan-2-yl)pyrimidin-2-yl]morpholine
SMILESCC(C)(c1cc(-c2cnc(N)cc2Cl)nc(N2CCOCC2)n1)S(C)(=O)=O.CC(C)(c1cc(Cl)nc(N2CCOCC2)n1)S(C)(=O)=O.CS(=O)(=O)Cc1cc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C17H22ClN5O3S.C12H18ClN3O3S.C10H14ClN3O3S/c1-17(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;1-12(2,20(3,17)18)9-8-10(13)15-11(14-9)16-4-6-19-7-5-16;1-18(15,16)7-8-6-9(11)13-10(12-8)14-2-4-17-5-3-14/h8-10H,4-7H2,1-3H3,(H2,19,20);8H,4-7H2,1-3H3;6H,2-5,7H2,1H3
InChIKeyBXVKWYPKJBXBCL-UHFFFAOYSA-N
XLogP3.65
TPSA256.08 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001023.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

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

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Related Compounds

4-Chloro-5-[6-[1-(2-fluorophenyl)sulfonylcyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
CID 121428434
4-Chloro-5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
CID 121428443
4-Chloro-5-[6-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
CID 121428447
5-[6-[2-(2-Chlorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 132200115
N-[2-amino-5-[4-(3-chloro-4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide
CID 137370741
N-[2-chloro-5-[4-(3-chloro-4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide
CID 137370829
N-[5-[4-(3-chloro-4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]-2-methyl-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide
CID 137370835
N-[5-[4-(3-chloro-4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide
CID 137371118
4-[6-Chloro-4-[difluoro(phenyl)methyl]-2-pyridinyl]morpholine;5-[4-[difluoro(phenyl)methyl]-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine
CID 158459252
N,N-dimethyl-5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;N-methyl-5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 158769749
(3S)-4-[4-chloro-6-(1-propan-2-ylsulfonylcyclobutyl)pyrimidin-2-yl]-3-methylmorpholine;(3S)-4-[4-chloro-6-(propan-2-ylsulfonylmethyl)pyrimidin-2-yl]-3-methylmorpholine;5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(1-propan-2-ylsulfonylcyclobutyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 159003632
Methane;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;sulfanide;trimethyl-[5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)-2-pyridinyl]azanium
CID 159079115

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;4-[4-chloro-6-(2-methylsulfonylpropan-2-yl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;4-[4-chloro-6-(2-methylsulfonylpropan-2-yl)pyrimidin-2-yl]morpholine (CID 157495961) is 4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;4-[4-chloro-6-(2-methylsulfonylpropan-2-yl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;4-[4-chloro-6-(2-methylsulfonylpropan-2-yl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;4-[4-chloro-6-(2-methylsulfonylpropan-2-yl)pyrimidin-2-yl]morpholine is CC(C)(c1cc(-c2cnc(N)cc2Cl)nc(N2CCOCC2)n1)S(C)(=O)=O.CC(C)(c1cc(Cl)nc(N2CCOCC2)n1)S(C)(=O)=O.CS(=O)(=O)Cc1cc(Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;4-[4-chloro-6-(2-methylsulfonylpropan-2-yl)pyrimidin-2-yl]morpholine?
The InChIKey is BXVKWYPKJBXBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O3S.C12H18ClN3O3S.C10H14ClN3O3S/c1-17(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;1-12(2,20(3,17)18)9-8-10(13)15-11(14-9)16-4-6-19-7-5-16;1-18(15,16)7-8-6-9(11)13-10(12-8)14-2-4-17-5-3-14/h8-10H,4-7H2,1-3H3,(H2,19,20);8H,4-7H2,1-3H3;6H,2-5,7H2,1H3.
What are the key properties of 4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;4-[4-chloro-6-(2-methylsulfonylpropan-2-yl)pyrimidin-2-yl]morpholine?
4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;4-[4-chloro-6-(2-methylsulfonylpropan-2-yl)pyrimidin-2-yl]morpholine has a molecular weight of 1023.49 g/mol, XLogP of 3.65, 10 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;4-[4-chloro-6-(2-methylsulfonylpropan-2-yl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 157495961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).