N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-N-(2-methyl-3-pyridinyl)-6-propan-2-yloxypyrimidin-4-amine

C91H102Cl2F2N28O6 — CID 158182076

About N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-N-(2-methyl-3-pyridinyl)-6-propan-2-yloxypyrimidin-4-amine

N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-N-(2-methyl-3-pyridinyl)-6-propan-2-yloxypyrimidin-4-amine (PubChem CID 158182076) has the molecular formula C91H102Cl2F2N28O6 and a molecular weight of 1792.91 g/mol. Its IUPAC name is N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-N-(2-methyl-3-pyridinyl)-6-propan-2-yloxypyrimidin-4-amine.

Molecular Properties

• Compound Name: N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-N-(2-methyl-3-pyridinyl)-6-propan-2-yloxypyrimidin-4-amine
• PubChem CID: 158182076
• Molecular Formula: C91H102Cl2F2N28O6
• Molecular Weight: 1792.91 g/mol
• Exact Mass: 1790.79
• IUPAC Name: N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-N-(2-methyl-3-pyridinyl)-6-propan-2-yloxypyrimidin-4-amine
• SMILES: Cc1c(Nc2ccc(-n3cncn3)cc2Cl)ncnc1OC(C)C.Cc1c(Nc2ccc(-n3cncn3)cc2F)ncnc1OC(C)C.Cc1ccc(Nc2ncnc(OC(C)C)c2C)c(C)n1.Cc1ncccc1Nc1ncnc(OC(C)C)c1C.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)C)c2C)c(Cl)c1.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)C)c2C)c(F)c1
• InChI: InChI=1S/C16H17ClN6O.C16H17FN6O.C15H15ClN4O.C15H15FN4O.C15H20N4O.C14H18N4O/c2*1-10(2)24-16-11(3)15(19-8-20-16)22-14-5-4-12(6-13(14)17)23-9-18-7-21-23;2*1-9(2)21-15-10(3)14(18-8-19-15)20-13-6-5-11(17-4)7-12(13)16;1-9(2)20-15-11(4)14(16-8-17-15)19-13-7-6-10(3)18-12(13)5;1-9(2)19-14-10(3)13(16-8-17-14)18-12-6-5-7-15-11(12)4/h2*4-10H,1-3H3,(H,19,20,22);2*5-9H,1-3H3,(H,18,19,20);6-9H,1-5H3,(H,16,17,19);5-9H,1-4H3,(H,16,17,18)
• InChIKey: FYSGLNFDJZQBRM-UHFFFAOYSA-N
• XLogP: 21.46
• TPSA: 378.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 26
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1792.91
LogP ≤ 5	21.46
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-N-(2-methyl-3-pyridinyl)-6-propan-2-yloxypyrimidin-4-amine?

The IUPAC name of N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-N-(2-methyl-3-pyridinyl)-6-propan-2-yloxypyrimidin-4-amine (CID 158182076) is N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-N-(2-methyl-3-pyridinyl)-6-propan-2-yloxypyrimidin-4-amine.

What is the SMILES notation for N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-N-(2-methyl-3-pyridinyl)-6-propan-2-yloxypyrimidin-4-amine?

The canonical SMILES for N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-N-(2-methyl-3-pyridinyl)-6-propan-2-yloxypyrimidin-4-amine is Cc1c(Nc2ccc(-n3cncn3)cc2Cl)ncnc1OC(C)C.Cc1c(Nc2ccc(-n3cncn3)cc2F)ncnc1OC(C)C.Cc1ccc(Nc2ncnc(OC(C)C)c2C)c(C)n1.Cc1ncccc1Nc1ncnc(OC(C)C)c1C.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)C)c2C)c(Cl)c1.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)C)c2C)c(F)c1.

What is the InChIKey of N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-N-(2-methyl-3-pyridinyl)-6-propan-2-yloxypyrimidin-4-amine?

The InChIKey is FYSGLNFDJZQBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6O.C16H17FN6O.C15H15ClN4O.C15H15FN4O.C15H20N4O.C14H18N4O/c2*1-10(2)24-16-11(3)15(19-8-20-16)22-14-5-4-12(6-13(14)17)23-9-18-7-21-23;2*1-9(2)21-15-10(3)14(18-8-19-15)20-13-6-5-11(17-4)7-12(13)16;1-9(2)20-15-11(4)14(16-8-17-15)19-13-7-6-10(3)18-12(13)5;1-9(2)19-14-10(3)13(16-8-17-14)18-12-6-5-7-15-11(12)4/h2*4-10H,1-3H3,(H,19,20,22);2*5-9H,1-3H3,(H,18,19,20);6-9H,1-5H3,(H,16,17,19);5-9H,1-4H3,(H,16,17,18).

What are the key properties of N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-N-(2-methyl-3-pyridinyl)-6-propan-2-yloxypyrimidin-4-amine?

N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-N-(2-methyl-3-pyridinyl)-6-propan-2-yloxypyrimidin-4-amine has a molecular weight of 1792.91 g/mol, XLogP of 21.46, 26 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2,6-dimethyl-3-pyridinyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-N-(2-methyl-3-pyridinyl)-6-propan-2-yloxypyrimidin-4-amine is sourced from PubChem (CID 158182076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).