4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide;5-(2-bromo-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine

C80H98Br2ClN25O12S2 — CID 160904874

IUPAC4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide;5-(2-bromo-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine
SMILESCOc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Oc2cc(Br)[n+]([O-])cc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(Br)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(Cl)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(S(C)(=O)=O)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(S(N)(=O)=O)ncc2C(C)C)c(N)n1
InChIInChI=1S/C14H18N4O3S.C14H18N4O2.C13H15BrN4O2.C13H15BrN4O.C13H15ClN4O.C13H17N5O3S/c1-8(2)10-6-17-13(22(4,19)20)5-11(10)21-12-7-16-9(3)18-14(12)15;1-8(2)10-6-17-13(19-4)5-11(10)20-12-7-16-9(3)18-14(12)15;1-7(2)9-6-18(19)12(14)4-10(9)20-11-5-16-8(3)17-13(11)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/h5-8H,1-4H3,(H2,15,16,18);5-8H,1-4H3,(H2,15,16,18);4-7H,1-3H3,(H2,15,16,17);2*4-7H,1-3H3,(H2,15,16,18);4-7H,1-3H3,(H2,14,16,18)(H2,15,19,20)
InChIKeySPZSUIZYJPITSJ-UHFFFAOYSA-N
MW1861.22 g/mol
LogP15.54
Rot. Bonds21

About 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide;5-(2-bromo-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine

4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide;5-(2-bromo-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine (PubChem CID 160904874) has the molecular formula C80H98Br2ClN25O12S2 and a molecular weight of 1861.22 g/mol. Its IUPAC name is 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide;5-(2-bromo-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine.

Molecular Properties

Compound Name4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide;5-(2-bromo-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine
PubChem CID160904874
Molecular FormulaC80H98Br2ClN25O12S2
Molecular Weight1861.22 g/mol
Exact Mass1857.53
IUPAC Name4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide;5-(2-bromo-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine
SMILESCOc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Oc2cc(Br)[n+]([O-])cc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(Br)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(Cl)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(S(C)(=O)=O)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(S(N)(=O)=O)ncc2C(C)C)c(N)n1
InChIInChI=1S/C14H18N4O3S.C14H18N4O2.C13H15BrN4O2.C13H15BrN4O.C13H15ClN4O.C13H17N5O3S/c1-8(2)10-6-17-13(22(4,19)20)5-11(10)21-12-7-16-9(3)18-14(12)15;1-8(2)10-6-17-13(19-4)5-11(10)20-12-7-16-9(3)18-14(12)15;1-7(2)9-6-18(19)12(14)4-10(9)20-11-5-16-8(3)17-13(11)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/h5-8H,1-4H3,(H2,15,16,18);5-8H,1-4H3,(H2,15,16,18);4-7H,1-3H3,(H2,15,16,17);2*4-7H,1-3H3,(H2,15,16,18);4-7H,1-3H3,(H2,14,16,18)(H2,15,19,20)
InChIKeySPZSUIZYJPITSJ-UHFFFAOYSA-N
XLogP15.54
TPSA561.10 Ų
H-Bond Donors7
H-Bond Acceptors35
Rotatable Bonds21
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001861.22
LogP ≤ 515.54
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide;5-(2-bromo-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]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)oxy-5-propan-2-ylpyridine-2-sulfonamide;5-(2-bromo-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine?
The IUPAC name of 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide;5-(2-bromo-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine (CID 160904874) is 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide;5-(2-bromo-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine.
What is the SMILES notation for 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide;5-(2-bromo-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine?
The canonical SMILES for 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide;5-(2-bromo-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine is COc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Oc2cc(Br)[n+]([O-])cc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(Br)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(Cl)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(S(C)(=O)=O)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(S(N)(=O)=O)ncc2C(C)C)c(N)n1.
What is the InChIKey of 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide;5-(2-bromo-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine?
The InChIKey is SPZSUIZYJPITSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S.C14H18N4O2.C13H15BrN4O2.C13H15BrN4O.C13H15ClN4O.C13H17N5O3S/c1-8(2)10-6-17-13(22(4,19)20)5-11(10)21-12-7-16-9(3)18-14(12)15;1-8(2)10-6-17-13(19-4)5-11(10)20-12-7-16-9(3)18-14(12)15;1-7(2)9-6-18(19)12(14)4-10(9)20-11-5-16-8(3)17-13(11)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/h5-8H,1-4H3,(H2,15,16,18);5-8H,1-4H3,(H2,15,16,18);4-7H,1-3H3,(H2,15,16,17);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)oxy-5-propan-2-ylpyridine-2-sulfonamide;5-(2-bromo-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine?
4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide;5-(2-bromo-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine has a molecular weight of 1861.22 g/mol, XLogP of 15.54, 21 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide;5-(2-bromo-1-oxido-5-propan-2-ylpyridin-1-ium-4-yl)oxy-2-methylpyrimidin-4-amine;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine is sourced from PubChem (CID 160904874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).