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;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine

C83H97BrClIN28OS5 — CID 157051887

IUPAC5-[(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;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine
SMILESC#Cc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.COc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Cc2cc(C3N=NN=N3)ncc2C(C)C)c(N)n1.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
InChIInChI=1S/C15H18N8.C15H16N4S.C14H18N4OS.C13H15BrN4S.C13H15ClN4S.C13H15IN4S/c1-8(2)12-7-18-13(15-20-22-23-21-15)5-10(12)4-11-6-17-9(3)19-14(11)16;1-5-11-6-13(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/h5-8,15H,4H2,1-3H3,(H2,16,17,19);1,6-9H,2-4H3,(H2,16,17,19);5-8H,1-4H3,(H2,15,16,18);3*4-7H,1-3H3,(H2,15,16,18)
InChIKeyAAHNQVRVQMBGIR-UHFFFAOYSA-N
MW1905.48 g/mol
LogP20.50
Rot. Bonds20

About 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;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine

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;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine (PubChem CID 157051887) has the molecular formula C83H97BrClIN28OS5 and a molecular weight of 1905.48 g/mol. Its IUPAC name is 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;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-[(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;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine
PubChem CID157051887
Molecular FormulaC83H97BrClIN28OS5
Molecular Weight1905.48 g/mol
Exact Mass1902.49
IUPAC Name5-[(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;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine
SMILESC#Cc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.COc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Cc2cc(C3N=NN=N3)ncc2C(C)C)c(N)n1.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
InChIInChI=1S/C15H18N8.C15H16N4S.C14H18N4OS.C13H15BrN4S.C13H15ClN4S.C13H15IN4S/c1-8(2)12-7-18-13(15-20-22-23-21-15)5-10(12)4-11-6-17-9(3)19-14(11)16;1-5-11-6-13(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/h5-8,15H,4H2,1-3H3,(H2,16,17,19);1,6-9H,2-4H3,(H2,16,17,19);5-8H,1-4H3,(H2,15,16,18);3*4-7H,1-3H3,(H2,15,16,18)
InChIKeyAAHNQVRVQMBGIR-UHFFFAOYSA-N
XLogP20.50
TPSA446.81 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds20
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001905.48
LogP ≤ 520.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

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 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;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine?
The IUPAC name of 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;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine (CID 157051887) is 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;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 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;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 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;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine is C#Cc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.COc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Cc2cc(C3N=NN=N3)ncc2C(C)C)c(N)n1.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.
What is the InChIKey of 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;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine?
The InChIKey is AAHNQVRVQMBGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8.C15H16N4S.C14H18N4OS.C13H15BrN4S.C13H15ClN4S.C13H15IN4S/c1-8(2)12-7-18-13(15-20-22-23-21-15)5-10(12)4-11-6-17-9(3)19-14(11)16;1-5-11-6-13(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/h5-8,15H,4H2,1-3H3,(H2,16,17,19);1,6-9H,2-4H3,(H2,16,17,19);5-8H,1-4H3,(H2,15,16,18);3*4-7H,1-3H3,(H2,15,16,18).
What are the key properties of 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;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine?
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;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine has a molecular weight of 1905.48 g/mol, XLogP of 20.50, 20 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 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;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 157051887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).