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-chloro-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

C81H96BrClIN25O3S7 — CID 167696957

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-chloro-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
SMILESC#Cc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.COc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Sc2cc(Br)ncc2C(C)C)c(N)n1.Cc1ncc(Sc2cc(Cl)ncc2C(C)C)c(N)n1.Cc1ncc(Sc2cc(I)ncc2C(C)C)c(N)n1.Cc1ncc(Sc2cc(S(N)(=O)=O)ncc2C(C)C)c(N)n1
InChIInChI=1S/C15H16N4S.C14H18N4OS.C13H15BrN4S.C13H15ClN4S.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(19-4)5-11(10)20-12-7-16-9(3)18-14(12)15;3*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);3*4-7H,1-3H3,(H2,15,16,18);4-7H,1-3H3,(H2,14,16,18)(H2,15,19,20)
InChIKeyXUIKZNGEOZIPBO-UHFFFAOYSA-N
MW1934.56 g/mol
LogP18.88
Rot. Bonds20

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-chloro-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

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-chloro-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 (PubChem CID 167696957) has the molecular formula C81H96BrClIN25O3S7 and a molecular weight of 1934.56 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-chloro-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.

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-chloro-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
PubChem CID167696957
Molecular FormulaC81H96BrClIN25O3S7
Molecular Weight1934.56 g/mol
Exact Mass1931.41
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-chloro-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
SMILESC#Cc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.COc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Sc2cc(Br)ncc2C(C)C)c(N)n1.Cc1ncc(Sc2cc(Cl)ncc2C(C)C)c(N)n1.Cc1ncc(Sc2cc(I)ncc2C(C)C)c(N)n1.Cc1ncc(Sc2cc(S(N)(=O)=O)ncc2C(C)C)c(N)n1
InChIInChI=1S/C15H16N4S.C14H18N4OS.C13H15BrN4S.C13H15ClN4S.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(19-4)5-11(10)20-12-7-16-9(3)18-14(12)15;3*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);3*4-7H,1-3H3,(H2,15,16,18);4-7H,1-3H3,(H2,14,16,18)(H2,15,19,20)
InChIKeyXUIKZNGEOZIPBO-UHFFFAOYSA-N
XLogP18.88
TPSA457.53 Ų
H-Bond Donors7
H-Bond Acceptors33
Rotatable Bonds20
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001934.56
LogP ≤ 518.88
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1033

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-chloro-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 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-chloro-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?
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-chloro-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 (CID 167696957) 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-chloro-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.
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-chloro-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?
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-chloro-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 is C#Cc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.COc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Sc2cc(Br)ncc2C(C)C)c(N)n1.Cc1ncc(Sc2cc(Cl)ncc2C(C)C)c(N)n1.Cc1ncc(Sc2cc(I)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-chloro-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?
The InChIKey is XUIKZNGEOZIPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S.C14H18N4OS.C13H15BrN4S.C13H15ClN4S.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(19-4)5-11(10)20-12-7-16-9(3)18-14(12)15;3*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);3*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-chloro-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?
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-chloro-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 has a molecular weight of 1934.56 g/mol, XLogP of 18.88, 20 rotatable bonds, 7 hydrogen bond donors, and 33 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-chloro-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 is sourced from PubChem (CID 167696957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).