4-amino-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide

C₉H₁₂N₄OS — CID 50743342

About 4-amino-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide

4-amino-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 50743342) has the molecular formula C₉H₁₂N₄OS and a molecular weight of 224.29 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 4-amino-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide
• PubChem CID: 50743342
• Molecular Formula: C₉H₁₂N₄OS
• Molecular Weight: 224.29 g/mol
• Exact Mass: 224.07
• IUPAC Name: 4-amino-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide
• SMILES: CSc1ncc(C(=O)NC2CC2)c(N)n1
• InChI: InChI=1S/C9H12N4OS/c1-15-9-11-4-6(7(10)13-9)8(14)12-5-2-3-5/h4-5H,2-3H2,1H3,(H,12,14)(H2,10,11,13)
• InChIKey: GXAWQUOUTOKUJZ-UHFFFAOYSA-N
• XLogP: 0.67
• TPSA: 80.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	224.29
LogP ≤ 5	0.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide?

The IUPAC name of 4-amino-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide (CID 50743342) is 4-amino-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide.

What is the SMILES notation for 4-amino-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide?

The canonical SMILES for 4-amino-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide is CSc1ncc(C(=O)NC2CC2)c(N)n1.

What is the InChIKey of 4-amino-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide?

The InChIKey is GXAWQUOUTOKUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-15-9-11-4-6(7(10)13-9)8(14)12-5-2-3-5/h4-5H,2-3H2,1H3,(H,12,14)(H2,10,11,13).

What are the key properties of 4-amino-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide?

4-amino-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 224.29 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 50743342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 50743342 — identifiers, structure, computed properties (public domain)

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