5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-phenylpyrimidine-4-carboxamide

C25H24N8O2S — CID 11511681

About 5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-phenylpyrimidine-4-carboxamide

5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-phenylpyrimidine-4-carboxamide (PubChem CID 11511681) has the molecular formula C25H24N8O2S and a molecular weight of 500.59 g/mol. Its IUPAC name is 5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-phenylpyrimidine-4-carboxamide
• PubChem CID: 11511681
• Molecular Formula: C25H24N8O2S
• Molecular Weight: 500.59 g/mol
• Exact Mass: 500.17
• IUPAC Name: 5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-phenylpyrimidine-4-carboxamide
• SMILES: Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nc(C(=O)Nc3ccccc3)c2N)n[nH]1
• InChI: InChI=1S/C25H24N8O2S/c1-14-13-19(33-32-14)29-22-20(26)21(24(35)28-16-5-3-2-4-6-16)30-25(31-22)36-18-11-9-17(10-12-18)27-23(34)15-7-8-15/h2-6,9-13,15H,7-8,26H2,1H3,(H,27,34)(H,28,35)(H2,29,30,31,32,33)
• InChIKey: FLWBRJVDXIHRJC-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 150.71 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.59
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-phenylpyrimidine-4-carboxamide?

The IUPAC name of 5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-phenylpyrimidine-4-carboxamide (CID 11511681) is 5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-phenylpyrimidine-4-carboxamide.

What is the SMILES notation for 5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-phenylpyrimidine-4-carboxamide?

The canonical SMILES for 5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-phenylpyrimidine-4-carboxamide is Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nc(C(=O)Nc3ccccc3)c2N)n[nH]1.

What is the InChIKey of 5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-phenylpyrimidine-4-carboxamide?

The InChIKey is FLWBRJVDXIHRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O2S/c1-14-13-19(33-32-14)29-22-20(26)21(24(35)28-16-5-3-2-4-6-16)30-25(31-22)36-18-11-9-17(10-12-18)27-23(34)15-7-8-15/h2-6,9-13,15H,7-8,26H2,1H3,(H,27,34)(H,28,35)(H2,29,30,31,32,33).

What are the key properties of 5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-phenylpyrimidine-4-carboxamide?

5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-phenylpyrimidine-4-carboxamide has a molecular weight of 500.59 g/mol, XLogP of 4.59, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 11511681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).