2-cyclopropylpyridine;1,5-dimethylpyrazole;ethoxymethanamine;N-ethoxymethanimine;methoxymethanamine;N-methoxymethanimine;2-methylpyrazine;2-methylpyridine;5-methylpyrimidine;bis(4-methyl-1,3-thiazole);pyrimidine

C51H78N16O4S2 — CID 158293349

About 2-cyclopropylpyridine;1,5-dimethylpyrazole;ethoxymethanamine;N-ethoxymethanimine;methoxymethanamine;N-methoxymethanimine;2-methylpyrazine;2-methylpyridine;5-methylpyrimidine;bis(4-methyl-1,3-thiazole);pyrimidine

2-cyclopropylpyridine;1,5-dimethylpyrazole;ethoxymethanamine;N-ethoxymethanimine;methoxymethanamine;N-methoxymethanimine;2-methylpyrazine;2-methylpyridine;5-methylpyrimidine;bis(4-methyl-1,3-thiazole);pyrimidine (PubChem CID 158293349) has the molecular formula C51H78N16O4S2 and a molecular weight of 1043.43 g/mol. Its IUPAC name is 2-cyclopropylpyridine;1,5-dimethylpyrazole;ethoxymethanamine;N-ethoxymethanimine;methoxymethanamine;N-methoxymethanimine;2-methylpyrazine;2-methylpyridine;5-methylpyrimidine;bis(4-methyl-1,3-thiazole);pyrimidine.

Molecular Properties

• Compound Name: 2-cyclopropylpyridine;1,5-dimethylpyrazole;ethoxymethanamine;N-ethoxymethanimine;methoxymethanamine;N-methoxymethanimine;2-methylpyrazine;2-methylpyridine;5-methylpyrimidine;bis(4-methyl-1,3-thiazole);pyrimidine
• PubChem CID: 158293349
• Molecular Formula: C51H78N16O4S2
• Molecular Weight: 1043.43 g/mol
• Exact Mass: 1042.58
• IUPAC Name: 2-cyclopropylpyridine;1,5-dimethylpyrazole;ethoxymethanamine;N-ethoxymethanimine;methoxymethanamine;N-methoxymethanimine;2-methylpyrazine;2-methylpyridine;5-methylpyrimidine;bis(4-methyl-1,3-thiazole);pyrimidine
• SMILES: C=NOC.C=NOCC.CCOCN.COCN.Cc1ccccn1.Cc1ccnn1C.Cc1cnccn1.Cc1cncnc1.Cc1cscn1.Cc1cscn1.c1ccc(C2CC2)nc1.c1cncnc1
• InChI: InChI=1S/C8H9N.C6H7N.C5H6N2.C5H8N2.C5H6N2.C4H4N2.2C4H5NS.C3H7NO.C3H9NO.C2H7NO.C2H5NO/c1-2-6-9-8(3-1)7-4-5-7;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-3-4-6-7(5)2;1-5-4-6-2-3-7-5;1-2-5-4-6-3-1;2*1-4-2-6-3-5-4;1-3-5-4-2;1-2-5-3-4;1-4-2-3;1-3-4-2/h1-3,6-7H,4-5H2;2-5H,1H3;2-4H,1H3;3-4H,1-2H3;2-4H,1H3;1-4H;2*2-3H,1H3;2-3H2,1H3;2-4H2,1H3;2-3H2,1H3;1H2,2H3
• InChIKey: GLPSGJRCUNCSOL-UHFFFAOYSA-N
• XLogP: 9.40
• TPSA: 260.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 7
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1043.43
LogP ≤ 5	9.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylpyridine;1,5-dimethylpyrazole;ethoxymethanamine;N-ethoxymethanimine;methoxymethanamine;N-methoxymethanimine;2-methylpyrazine;2-methylpyridine;5-methylpyrimidine;bis(4-methyl-1,3-thiazole);pyrimidine?

The IUPAC name of 2-cyclopropylpyridine;1,5-dimethylpyrazole;ethoxymethanamine;N-ethoxymethanimine;methoxymethanamine;N-methoxymethanimine;2-methylpyrazine;2-methylpyridine;5-methylpyrimidine;bis(4-methyl-1,3-thiazole);pyrimidine (CID 158293349) is 2-cyclopropylpyridine;1,5-dimethylpyrazole;ethoxymethanamine;N-ethoxymethanimine;methoxymethanamine;N-methoxymethanimine;2-methylpyrazine;2-methylpyridine;5-methylpyrimidine;bis(4-methyl-1,3-thiazole);pyrimidine.

What is the SMILES notation for 2-cyclopropylpyridine;1,5-dimethylpyrazole;ethoxymethanamine;N-ethoxymethanimine;methoxymethanamine;N-methoxymethanimine;2-methylpyrazine;2-methylpyridine;5-methylpyrimidine;bis(4-methyl-1,3-thiazole);pyrimidine?

The canonical SMILES for 2-cyclopropylpyridine;1,5-dimethylpyrazole;ethoxymethanamine;N-ethoxymethanimine;methoxymethanamine;N-methoxymethanimine;2-methylpyrazine;2-methylpyridine;5-methylpyrimidine;bis(4-methyl-1,3-thiazole);pyrimidine is C=NOC.C=NOCC.CCOCN.COCN.Cc1ccccn1.Cc1ccnn1C.Cc1cnccn1.Cc1cncnc1.Cc1cscn1.Cc1cscn1.c1ccc(C2CC2)nc1.c1cncnc1.

What is the InChIKey of 2-cyclopropylpyridine;1,5-dimethylpyrazole;ethoxymethanamine;N-ethoxymethanimine;methoxymethanamine;N-methoxymethanimine;2-methylpyrazine;2-methylpyridine;5-methylpyrimidine;bis(4-methyl-1,3-thiazole);pyrimidine?

The InChIKey is GLPSGJRCUNCSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.C6H7N.C5H6N2.C5H8N2.C5H6N2.C4H4N2.2C4H5NS.C3H7NO.C3H9NO.C2H7NO.C2H5NO/c1-2-6-9-8(3-1)7-4-5-7;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-3-4-6-7(5)2;1-5-4-6-2-3-7-5;1-2-5-4-6-3-1;2*1-4-2-6-3-5-4;1-3-5-4-2;1-2-5-3-4;1-4-2-3;1-3-4-2/h1-3,6-7H,4-5H2;2-5H,1H3;2-4H,1H3;3-4H,1-2H3;2-4H,1H3;1-4H;2*2-3H,1H3;2-3H2,1H3;2-4H2,1H3;2-3H2,1H3;1H2,2H3.

What are the key properties of 2-cyclopropylpyridine;1,5-dimethylpyrazole;ethoxymethanamine;N-ethoxymethanimine;methoxymethanamine;N-methoxymethanimine;2-methylpyrazine;2-methylpyridine;5-methylpyrimidine;bis(4-methyl-1,3-thiazole);pyrimidine?

2-cyclopropylpyridine;1,5-dimethylpyrazole;ethoxymethanamine;N-ethoxymethanimine;methoxymethanamine;N-methoxymethanimine;2-methylpyrazine;2-methylpyridine;5-methylpyrimidine;bis(4-methyl-1,3-thiazole);pyrimidine has a molecular weight of 1043.43 g/mol, XLogP of 9.40, 7 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropylpyridine;1,5-dimethylpyrazole;ethoxymethanamine;N-ethoxymethanimine;methoxymethanamine;N-methoxymethanimine;2-methylpyrazine;2-methylpyridine;5-methylpyrimidine;bis(4-methyl-1,3-thiazole);pyrimidine is sourced from PubChem (CID 158293349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).