4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine

C96H117BrIN29O5S10 — CID 167638434

IUPAC4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine
SMILESC#Cc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.COc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.CSc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Sc2cc(Br)ncc2C(C)C)c(N)n1.Cc1ncc(Sc2cc(I)ncc2C(C)C)c(N)n1.Cc1ncc(Sc2cc(S(C)(=O)=O)ncc2C(C)C)c(N)n1.Cc1ncc(Sc2cc(S(N)(=O)=O)ncc2C(C)C)c(N)n1
InChIInChI=1S/C15H16N4S.C14H18N4O2S2.C14H18N4OS.C14H18N4S2.C13H15BrN4S.C13H15IN4S.C13H17N5O2S2/c1-5-11-6-13(12(7-18-11)9(2)3)20-14-8-17-10(4)19-15(14)16;1-8(2)10-6-17-13(22(4,19)20)5-11(10)21-12-7-16-9(3)18-14(12)15;2*1-8(2)10-6-17-13(19-4)5-11(10)20-12-7-16-9(3)18-14(12)15;2*1-7(2)9-5-17-12(14)4-10(9)19-11-6-16-8(3)18-13(11)15;1-7(2)9-5-17-12(22(15,19)20)4-10(9)21-11-6-16-8(3)18-13(11)14/h1,6-9H,2-4H3,(H2,16,17,19);5-8H,1-4H3,(H2,15,16,18);2*5-8H,1-4H3,(H2,15,16,18);2*4-7H,1-3H3,(H2,15,16,18);4-7H,1-3H3,(H2,14,16,18)(H2,15,19,20)
InChIKeyOUUYSJUSMASOJY-UHFFFAOYSA-N
MW2284.67 g/mol
LogP21.39
Rot. Bonds25

About 4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine

4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine (PubChem CID 167638434) has the molecular formula C96H117BrIN29O5S10 and a molecular weight of 2284.67 g/mol. Its IUPAC name is 4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine
PubChem CID167638434
Molecular FormulaC96H117BrIN29O5S10
Molecular Weight2284.67 g/mol
Exact Mass2281.52
IUPAC Name4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine
SMILESC#Cc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.COc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.CSc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Sc2cc(Br)ncc2C(C)C)c(N)n1.Cc1ncc(Sc2cc(I)ncc2C(C)C)c(N)n1.Cc1ncc(Sc2cc(S(C)(=O)=O)ncc2C(C)C)c(N)n1.Cc1ncc(Sc2cc(S(N)(=O)=O)ncc2C(C)C)c(N)n1
InChIInChI=1S/C15H16N4S.C14H18N4O2S2.C14H18N4OS.C14H18N4S2.C13H15BrN4S.C13H15IN4S.C13H17N5O2S2/c1-5-11-6-13(12(7-18-11)9(2)3)20-14-8-17-10(4)19-15(14)16;1-8(2)10-6-17-13(22(4,19)20)5-11(10)21-12-7-16-9(3)18-14(12)15;2*1-8(2)10-6-17-13(19-4)5-11(10)20-12-7-16-9(3)18-14(12)15;2*1-7(2)9-5-17-12(14)4-10(9)19-11-6-16-8(3)18-13(11)15;1-7(2)9-5-17-12(22(15,19)20)4-10(9)21-11-6-16-8(3)18-13(11)14/h1,6-9H,2-4H3,(H2,16,17,19);5-8H,1-4H3,(H2,15,16,18);2*5-8H,1-4H3,(H2,15,16,18);2*4-7H,1-3H3,(H2,15,16,18);4-7H,1-3H3,(H2,14,16,18)(H2,15,19,20)
InChIKeyOUUYSJUSMASOJY-UHFFFAOYSA-N
XLogP21.39
TPSA556.36 Ų
H-Bond Donors8
H-Bond Acceptors41
Rotatable Bonds25
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002284.67
LogP ≤ 521.39
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine?
The IUPAC name of 4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine (CID 167638434) is 4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine?
The canonical SMILES for 4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine is C#Cc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.COc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.CSc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Sc2cc(Br)ncc2C(C)C)c(N)n1.Cc1ncc(Sc2cc(I)ncc2C(C)C)c(N)n1.Cc1ncc(Sc2cc(S(C)(=O)=O)ncc2C(C)C)c(N)n1.Cc1ncc(Sc2cc(S(N)(=O)=O)ncc2C(C)C)c(N)n1.
What is the InChIKey of 4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine?
The InChIKey is OUUYSJUSMASOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S.C14H18N4O2S2.C14H18N4OS.C14H18N4S2.C13H15BrN4S.C13H15IN4S.C13H17N5O2S2/c1-5-11-6-13(12(7-18-11)9(2)3)20-14-8-17-10(4)19-15(14)16;1-8(2)10-6-17-13(22(4,19)20)5-11(10)21-12-7-16-9(3)18-14(12)15;2*1-8(2)10-6-17-13(19-4)5-11(10)20-12-7-16-9(3)18-14(12)15;2*1-7(2)9-5-17-12(14)4-10(9)19-11-6-16-8(3)18-13(11)15;1-7(2)9-5-17-12(22(15,19)20)4-10(9)21-11-6-16-8(3)18-13(11)14/h1,6-9H,2-4H3,(H2,16,17,19);5-8H,1-4H3,(H2,15,16,18);2*5-8H,1-4H3,(H2,15,16,18);2*4-7H,1-3H3,(H2,15,16,18);4-7H,1-3H3,(H2,14,16,18)(H2,15,19,20).
What are the key properties of 4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine?
4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine has a molecular weight of 2284.67 g/mol, XLogP of 21.39, 25 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 167638434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).