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-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;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine

C87H113BrIN25O5S3 — CID 167621206

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-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;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine
SMILESCOc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.CSc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Cc2cc(Br)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(I)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(S(C)(=O)=O)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(S(N)(=O)=O)ncc2C(C)C)c(N)n1
InChIInChI=1S/C15H20N4O2S.C15H20N4O.C15H20N4S.C14H17BrN4.C14H17IN4.C14H19N5O2S/c1-9(2)13-8-18-14(22(4,20)21)6-11(13)5-12-7-17-10(3)19-15(12)16;2*1-9(2)13-8-18-14(20-4)6-11(13)5-12-7-17-10(3)19-15(12)16;2*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/h6-9H,5H2,1-4H3,(H2,16,17,19);2*6-9H,5H2,1-4H3,(H2,16,17,19);2*5-8H,4H2,1-3H3,(H2,16,17,19);5-8H,4H2,1-3H3,(H2,15,17,19)(H2,16,20,21)
InChIKeyMLRJQPCRMMXYDL-UHFFFAOYSA-N
MW1892.04 g/mol
LogP15.01
Rot. Bonds22

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-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;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-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-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;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine (PubChem CID 167621206) has the molecular formula C87H113BrIN25O5S3 and a molecular weight of 1892.04 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-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;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-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-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;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine
PubChem CID167621206
Molecular FormulaC87H113BrIN25O5S3
Molecular Weight1892.04 g/mol
Exact Mass1889.67
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-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;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine
SMILESCOc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.CSc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Cc2cc(Br)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(I)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(S(C)(=O)=O)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(S(N)(=O)=O)ncc2C(C)C)c(N)n1
InChIInChI=1S/C15H20N4O2S.C15H20N4O.C15H20N4S.C14H17BrN4.C14H17IN4.C14H19N5O2S/c1-9(2)13-8-18-14(22(4,20)21)6-11(13)5-12-7-17-10(3)19-15(12)16;2*1-9(2)13-8-18-14(20-4)6-11(13)5-12-7-17-10(3)19-15(12)16;2*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/h6-9H,5H2,1-4H3,(H2,16,17,19);2*6-9H,5H2,1-4H3,(H2,16,17,19);2*5-8H,4H2,1-3H3,(H2,16,17,19);5-8H,4H2,1-3H3,(H2,15,17,19)(H2,16,20,21)
InChIKeyMLRJQPCRMMXYDL-UHFFFAOYSA-N
XLogP15.01
TPSA491.67 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds22
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001892.04
LogP ≤ 515.01
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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-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;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-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;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-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-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;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine (CID 167621206) 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-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;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-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-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;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-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-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;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine is COc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.CSc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Cc2cc(Br)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(I)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(S(C)(=O)=O)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-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;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine?
The InChIKey is MLRJQPCRMMXYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S.C15H20N4O.C15H20N4S.C14H17BrN4.C14H17IN4.C14H19N5O2S/c1-9(2)13-8-18-14(22(4,20)21)6-11(13)5-12-7-17-10(3)19-15(12)16;2*1-9(2)13-8-18-14(20-4)6-11(13)5-12-7-17-10(3)19-15(12)16;2*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/h6-9H,5H2,1-4H3,(H2,16,17,19);2*6-9H,5H2,1-4H3,(H2,16,17,19);2*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-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;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-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-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;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine has a molecular weight of 1892.04 g/mol, XLogP of 15.01, 22 rotatable bonds, 7 hydrogen bond donors, and 30 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-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;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfonyl-5-propan-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 167621206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).