6-(5-chloro-6-methyl-3-pyridinyl)pyrazin-2-amine;(2S)-N-[6-(5-chloro-6-methyl-3-pyridinyl)pyrazin-2-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;bis((2S)-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanoic acid);oxalyl dichloride

C64H61Cl4N23O16 — CID 158513944

About 6-(5-chloro-6-methyl-3-pyridinyl)pyrazin-2-amine;(2S)-N-[6-(5-chloro-6-methyl-3-pyridinyl)pyrazin-2-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;bis((2S)-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanoic acid);oxalyl dichloride

6-(5-chloro-6-methyl-3-pyridinyl)pyrazin-2-amine;(2S)-N-[6-(5-chloro-6-methyl-3-pyridinyl)pyrazin-2-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;bis((2S)-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanoic acid);oxalyl dichloride (PubChem CID 158513944) has the molecular formula C64H61Cl4N23O16 and a molecular weight of 1550.15 g/mol. Its IUPAC name is 6-(5-chloro-6-methyl-3-pyridinyl)pyrazin-2-amine;(2S)-N-[6-(5-chloro-6-methyl-3-pyridinyl)pyrazin-2-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;bis((2S)-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanoic acid);oxalyl dichloride.

Molecular Properties

• Compound Name: 6-(5-chloro-6-methyl-3-pyridinyl)pyrazin-2-amine;(2S)-N-[6-(5-chloro-6-methyl-3-pyridinyl)pyrazin-2-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;bis((2S)-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanoic acid);oxalyl dichloride
• PubChem CID: 158513944
• Molecular Formula: C64H61Cl4N23O16
• Molecular Weight: 1550.15 g/mol
• Exact Mass: 1547.34
• IUPAC Name: 6-(5-chloro-6-methyl-3-pyridinyl)pyrazin-2-amine;(2S)-N-[6-(5-chloro-6-methyl-3-pyridinyl)pyrazin-2-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;bis((2S)-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanoic acid);oxalyl dichloride
• SMILES: Cc1cc(Cn2c(=O)c3c(ncn3[C@@H](C)C(=O)Nc3cncc(-c4cnc(C)c(Cl)c4)n3)n(C)c2=O)no1.Cc1cc(Cn2c(=O)c3c(ncn3[C@@H](C)C(=O)O)n(C)c2=O)no1.Cc1cc(Cn2c(=O)c3c(ncn3[C@@H](C)C(=O)O)n(C)c2=O)no1.Cc1ncc(-c2cncc(N)n2)cc1Cl.O=C(Cl)C(=O)Cl
• InChI: InChI=1S/C24H22ClN9O4.2C14H15N5O5.C10H9ClN4.C2Cl2O2/c1-12-5-16(31-38-12)10-33-23(36)20-21(32(4)24(33)37)28-11-34(20)14(3)22(35)30-19-9-26-8-18(29-19)15-6-17(25)13(2)27-7-15;2*1-7-4-9(16-24-7)5-18-12(20)10-11(17(3)14(18)23)15-6-19(10)8(2)13(21)22;1-6-8(11)2-7(3-14-6)9-4-13-5-10(12)15-9;3-1(5)2(4)6/h5-9,11,14H,10H2,1-4H3,(H,29,30,35);2*4,6,8H,5H2,1-3H3,(H,21,22);2-5H,1H3,(H2,12,15);/t14-;2*8-;;/m000../s1
• InChIKey: HLKADUVJVHRYEU-HBSUZQLPSA-N
• XLogP: 4.63
• TPSA: 504.75 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 36
• Rotatable Bonds: 16
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1550.15
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-6-methyl-3-pyridinyl)pyrazin-2-amine;(2S)-N-[6-(5-chloro-6-methyl-3-pyridinyl)pyrazin-2-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;bis((2S)-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanoic acid);oxalyl dichloride?

The IUPAC name of 6-(5-chloro-6-methyl-3-pyridinyl)pyrazin-2-amine;(2S)-N-[6-(5-chloro-6-methyl-3-pyridinyl)pyrazin-2-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;bis((2S)-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanoic acid);oxalyl dichloride (CID 158513944) is 6-(5-chloro-6-methyl-3-pyridinyl)pyrazin-2-amine;(2S)-N-[6-(5-chloro-6-methyl-3-pyridinyl)pyrazin-2-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;bis((2S)-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanoic acid);oxalyl dichloride.

What is the SMILES notation for 6-(5-chloro-6-methyl-3-pyridinyl)pyrazin-2-amine;(2S)-N-[6-(5-chloro-6-methyl-3-pyridinyl)pyrazin-2-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;bis((2S)-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanoic acid);oxalyl dichloride?

The canonical SMILES for 6-(5-chloro-6-methyl-3-pyridinyl)pyrazin-2-amine;(2S)-N-[6-(5-chloro-6-methyl-3-pyridinyl)pyrazin-2-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;bis((2S)-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanoic acid);oxalyl dichloride is Cc1cc(Cn2c(=O)c3c(ncn3[C@@H](C)C(=O)Nc3cncc(-c4cnc(C)c(Cl)c4)n3)n(C)c2=O)no1.Cc1cc(Cn2c(=O)c3c(ncn3[C@@H](C)C(=O)O)n(C)c2=O)no1.Cc1cc(Cn2c(=O)c3c(ncn3[C@@H](C)C(=O)O)n(C)c2=O)no1.Cc1ncc(-c2cncc(N)n2)cc1Cl.O=C(Cl)C(=O)Cl.

What is the InChIKey of 6-(5-chloro-6-methyl-3-pyridinyl)pyrazin-2-amine;(2S)-N-[6-(5-chloro-6-methyl-3-pyridinyl)pyrazin-2-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;bis((2S)-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanoic acid);oxalyl dichloride?

The InChIKey is HLKADUVJVHRYEU-HBSUZQLPSA-N. The full InChI is InChI=1S/C24H22ClN9O4.2C14H15N5O5.C10H9ClN4.C2Cl2O2/c1-12-5-16(31-38-12)10-33-23(36)20-21(32(4)24(33)37)28-11-34(20)14(3)22(35)30-19-9-26-8-18(29-19)15-6-17(25)13(2)27-7-15;2*1-7-4-9(16-24-7)5-18-12(20)10-11(17(3)14(18)23)15-6-19(10)8(2)13(21)22;1-6-8(11)2-7(3-14-6)9-4-13-5-10(12)15-9;3-1(5)2(4)6/h5-9,11,14H,10H2,1-4H3,(H,29,30,35);2*4,6,8H,5H2,1-3H3,(H,21,22);2-5H,1H3,(H2,12,15);/t14-;2*8-;;/m000../s1.

What are the key properties of 6-(5-chloro-6-methyl-3-pyridinyl)pyrazin-2-amine;(2S)-N-[6-(5-chloro-6-methyl-3-pyridinyl)pyrazin-2-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;bis((2S)-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanoic acid);oxalyl dichloride?

6-(5-chloro-6-methyl-3-pyridinyl)pyrazin-2-amine;(2S)-N-[6-(5-chloro-6-methyl-3-pyridinyl)pyrazin-2-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;bis((2S)-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanoic acid);oxalyl dichloride has a molecular weight of 1550.15 g/mol, XLogP of 4.63, 16 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-chloro-6-methyl-3-pyridinyl)pyrazin-2-amine;(2S)-N-[6-(5-chloro-6-methyl-3-pyridinyl)pyrazin-2-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;bis((2S)-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanoic acid);oxalyl dichloride is sourced from PubChem (CID 158513944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).