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

C87H108BrClIN25O3S — CID 164990493

IUPAC4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine
SMILESC#Cc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.COc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Cc2cc(Br)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(Cl)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(I)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(S(N)(=O)=O)ncc2C(C)C)c(N)n1
InChIInChI=1S/C16H18N4.C15H20N4O.C14H17BrN4.C14H17ClN4.C14H17IN4.C14H19N5O2S/c1-5-14-7-12(15(9-19-14)10(2)3)6-13-8-18-11(4)20-16(13)17;1-9(2)13-8-18-14(20-4)6-11(13)5-12-7-17-10(3)19-15(12)16;3*1-8(2)12-7-18-13(15)5-10(12)4-11-6-17-9(3)19-14(11)16;1-8(2)12-7-18-13(22(16,20)21)5-10(12)4-11-6-17-9(3)19-14(11)15/h1,7-10H,6H2,2-4H3,(H2,17,18,20);6-9H,5H2,1-4H3,(H2,16,17,19);3*5-8H,4H2,1-3H3,(H2,16,17,19);5-8H,4H2,1-3H3,(H2,15,17,19)(H2,16,20,21)
InChIKeyGTZKGQIPWXGHQZ-UHFFFAOYSA-N
MW1826.32 g/mol
LogP15.52
Rot. Bonds20

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

4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine (PubChem CID 164990493) has the molecular formula C87H108BrClIN25O3S and a molecular weight of 1826.32 g/mol. Its IUPAC name is 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine
PubChem CID164990493
Molecular FormulaC87H108BrClIN25O3S
Molecular Weight1826.32 g/mol
Exact Mass1823.67
IUPAC Name4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine
SMILESC#Cc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.COc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Cc2cc(Br)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(Cl)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(I)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(S(N)(=O)=O)ncc2C(C)C)c(N)n1
InChIInChI=1S/C16H18N4.C15H20N4O.C14H17BrN4.C14H17ClN4.C14H17IN4.C14H19N5O2S/c1-5-14-7-12(15(9-19-14)10(2)3)6-13-8-18-11(4)20-16(13)17;1-9(2)13-8-18-14(20-4)6-11(13)5-12-7-17-10(3)19-15(12)16;3*1-8(2)12-7-18-13(15)5-10(12)4-11-6-17-9(3)19-14(11)16;1-8(2)12-7-18-13(22(16,20)21)5-10(12)4-11-6-17-9(3)19-14(11)15/h1,7-10H,6H2,2-4H3,(H2,17,18,20);6-9H,5H2,1-4H3,(H2,16,17,19);3*5-8H,4H2,1-3H3,(H2,16,17,19);5-8H,4H2,1-3H3,(H2,15,17,19)(H2,16,20,21)
InChIKeyGTZKGQIPWXGHQZ-UHFFFAOYSA-N
XLogP15.52
TPSA457.53 Ų
H-Bond Donors7
H-Bond Acceptors27
Rotatable Bonds20
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001826.32
LogP ≤ 515.52
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1027

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)methyl]-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-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)methyl]-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine (CID 164990493) is 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine is C#Cc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.COc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Cc2cc(Br)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(Cl)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(I)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(S(N)(=O)=O)ncc2C(C)C)c(N)n1.
What is the InChIKey of 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine?
The InChIKey is GTZKGQIPWXGHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4.C15H20N4O.C14H17BrN4.C14H17ClN4.C14H17IN4.C14H19N5O2S/c1-5-14-7-12(15(9-19-14)10(2)3)6-13-8-18-11(4)20-16(13)17;1-9(2)13-8-18-14(20-4)6-11(13)5-12-7-17-10(3)19-15(12)16;3*1-8(2)12-7-18-13(15)5-10(12)4-11-6-17-9(3)19-14(11)16;1-8(2)12-7-18-13(22(16,20)21)5-10(12)4-11-6-17-9(3)19-14(11)15/h1,7-10H,6H2,2-4H3,(H2,17,18,20);6-9H,5H2,1-4H3,(H2,16,17,19);3*5-8H,4H2,1-3H3,(H2,16,17,19);5-8H,4H2,1-3H3,(H2,15,17,19)(H2,16,20,21).
What are the key properties of 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine?
4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine has a molecular weight of 1826.32 g/mol, XLogP of 15.52, 20 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-propan-2-ylpyridine-2-sulfonamide;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-iodo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 164990493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).