2-(2-methylpropyl)pyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;N-propan-2-yl-1H-imidazol-2-amine;N-propan-2-yl-1,3-oxazol-2-amine;N-propan-2-yl-1,3-thiazol-2-amine

C36H56N12OS — CID 158455411

About 2-(2-methylpropyl)pyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;N-propan-2-yl-1H-imidazol-2-amine;N-propan-2-yl-1,3-oxazol-2-amine;N-propan-2-yl-1,3-thiazol-2-amine

2-(2-methylpropyl)pyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;N-propan-2-yl-1H-imidazol-2-amine;N-propan-2-yl-1,3-oxazol-2-amine;N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 158455411) has the molecular formula C36H56N12OS and a molecular weight of 704.99 g/mol. Its IUPAC name is 2-(2-methylpropyl)pyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;N-propan-2-yl-1H-imidazol-2-amine;N-propan-2-yl-1,3-oxazol-2-amine;N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 2-(2-methylpropyl)pyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;N-propan-2-yl-1H-imidazol-2-amine;N-propan-2-yl-1,3-oxazol-2-amine;N-propan-2-yl-1,3-thiazol-2-amine
• PubChem CID: 158455411
• Molecular Formula: C36H56N12OS
• Molecular Weight: 704.99 g/mol
• Exact Mass: 704.44
• IUPAC Name: 2-(2-methylpropyl)pyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;N-propan-2-yl-1H-imidazol-2-amine;N-propan-2-yl-1,3-oxazol-2-amine;N-propan-2-yl-1,3-thiazol-2-amine
• SMILES: CC(C)Cc1ncccn1.CC(C)Nc1nc2ccccc2[nH]1.CC(C)Nc1ncc[nH]1.CC(C)Nc1ncco1.CC(C)Nc1nccs1
• InChI: InChI=1S/C10H13N3.C8H12N2.C6H11N3.C6H10N2O.C6H10N2S/c1-7(2)11-10-12-8-5-3-4-6-9(8)13-10;1-7(2)6-8-9-4-3-5-10-8;1-5(2)9-6-7-3-4-8-6;2*1-5(2)8-6-7-3-4-9-6/h3-7H,1-2H3,(H2,11,12,13);3-5,7H,6H2,1-2H3;3-5H,1-2H3,(H2,7,8,9);2*3-5H,1-2H3,(H,7,8)
• InChIKey: HEMUQUXGMGNWNY-UHFFFAOYSA-N
• XLogP: 8.75
• TPSA: 170.18 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	704.99
LogP ≤ 5	8.75
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)pyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;N-propan-2-yl-1H-imidazol-2-amine;N-propan-2-yl-1,3-oxazol-2-amine;N-propan-2-yl-1,3-thiazol-2-amine?

The IUPAC name of 2-(2-methylpropyl)pyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;N-propan-2-yl-1H-imidazol-2-amine;N-propan-2-yl-1,3-oxazol-2-amine;N-propan-2-yl-1,3-thiazol-2-amine (CID 158455411) is 2-(2-methylpropyl)pyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;N-propan-2-yl-1H-imidazol-2-amine;N-propan-2-yl-1,3-oxazol-2-amine;N-propan-2-yl-1,3-thiazol-2-amine.

What is the SMILES notation for 2-(2-methylpropyl)pyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;N-propan-2-yl-1H-imidazol-2-amine;N-propan-2-yl-1,3-oxazol-2-amine;N-propan-2-yl-1,3-thiazol-2-amine?

The canonical SMILES for 2-(2-methylpropyl)pyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;N-propan-2-yl-1H-imidazol-2-amine;N-propan-2-yl-1,3-oxazol-2-amine;N-propan-2-yl-1,3-thiazol-2-amine is CC(C)Cc1ncccn1.CC(C)Nc1nc2ccccc2[nH]1.CC(C)Nc1ncc[nH]1.CC(C)Nc1ncco1.CC(C)Nc1nccs1.

What is the InChIKey of 2-(2-methylpropyl)pyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;N-propan-2-yl-1H-imidazol-2-amine;N-propan-2-yl-1,3-oxazol-2-amine;N-propan-2-yl-1,3-thiazol-2-amine?

The InChIKey is HEMUQUXGMGNWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3.C8H12N2.C6H11N3.C6H10N2O.C6H10N2S/c1-7(2)11-10-12-8-5-3-4-6-9(8)13-10;1-7(2)6-8-9-4-3-5-10-8;1-5(2)9-6-7-3-4-8-6;2*1-5(2)8-6-7-3-4-9-6/h3-7H,1-2H3,(H2,11,12,13);3-5,7H,6H2,1-2H3;3-5H,1-2H3,(H2,7,8,9);2*3-5H,1-2H3,(H,7,8).

What are the key properties of 2-(2-methylpropyl)pyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;N-propan-2-yl-1H-imidazol-2-amine;N-propan-2-yl-1,3-oxazol-2-amine;N-propan-2-yl-1,3-thiazol-2-amine?

2-(2-methylpropyl)pyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;N-propan-2-yl-1H-imidazol-2-amine;N-propan-2-yl-1,3-oxazol-2-amine;N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 704.99 g/mol, XLogP of 8.75, 10 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methylpropyl)pyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;N-propan-2-yl-1H-imidazol-2-amine;N-propan-2-yl-1,3-oxazol-2-amine;N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 158455411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).