1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide

C26H26N6OS — CID 67987735

About 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide

1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide (PubChem CID 67987735) has the molecular formula C26H26N6OS and a molecular weight of 470.60 g/mol. Its IUPAC name is 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide
• PubChem CID: 67987735
• Molecular Formula: C26H26N6OS
• Molecular Weight: 470.60 g/mol
• Exact Mass: 470.19
• IUPAC Name: 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide
• SMILES: Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCCCC3)nc2)cs1
• InChI: InChI=1S/C26H26N6OS/c1-17-31-22(16-34-17)19-7-10-23(28-13-19)32-24(33)26(11-3-2-4-12-26)21-8-5-18(6-9-21)20-14-29-25(27)30-15-20/h5-10,13-16H,2-4,11-12H2,1H3,(H2,27,29,30)(H,28,32,33)
• InChIKey: PPZOCTIRSQJEOT-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 106.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.60
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide?

The IUPAC name of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide (CID 67987735) is 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide.

What is the SMILES notation for 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide?

The canonical SMILES for 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide is Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCCCC3)nc2)cs1.

What is the InChIKey of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide?

The InChIKey is PPZOCTIRSQJEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6OS/c1-17-31-22(16-34-17)19-7-10-23(28-13-19)32-24(33)26(11-3-2-4-12-26)21-8-5-18(6-9-21)20-14-29-25(27)30-15-20/h5-10,13-16H,2-4,11-12H2,1H3,(H2,27,29,30)(H,28,32,33).

What are the key properties of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide?

1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide has a molecular weight of 470.60 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 67987735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).