2-[2-[5-[[6-(1-hydroxypropan-2-ylamino)-5-methyl-2-pyridin-2-ylpyrimidin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-yl]morpholin-4-yl]-N-prop-2-enylacetamide

C32H37N7O3S — CID 142506874

About 2-[2-[5-[[6-(1-hydroxypropan-2-ylamino)-5-methyl-2-pyridin-2-ylpyrimidin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-yl]morpholin-4-yl]-N-prop-2-enylacetamide

2-[2-[5-[[6-(1-hydroxypropan-2-ylamino)-5-methyl-2-pyridin-2-ylpyrimidin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-yl]morpholin-4-yl]-N-prop-2-enylacetamide (PubChem CID 142506874) has the molecular formula C32H37N7O3S and a molecular weight of 599.76 g/mol. Its IUPAC name is 2-[2-[5-[[6-(1-hydroxypropan-2-ylamino)-5-methyl-2-pyridin-2-ylpyrimidin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-yl]morpholin-4-yl]-N-prop-2-enylacetamide.

Molecular Properties

• Compound Name: 2-[2-[5-[[6-(1-hydroxypropan-2-ylamino)-5-methyl-2-pyridin-2-ylpyrimidin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-yl]morpholin-4-yl]-N-prop-2-enylacetamide
• PubChem CID: 142506874
• Molecular Formula: C32H37N7O3S
• Molecular Weight: 599.76 g/mol
• Exact Mass: 599.27
• IUPAC Name: 2-[2-[5-[[6-(1-hydroxypropan-2-ylamino)-5-methyl-2-pyridin-2-ylpyrimidin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-yl]morpholin-4-yl]-N-prop-2-enylacetamide
• SMILES: C=CCNC(=O)CN1CCOC(c2nc(-c3ccccc3)c(Cc3nc(-c4ccccn4)nc(NC(C)CO)c3C)s2)C1
• InChI: InChI=1S/C32H37N7O3S/c1-4-13-34-28(41)19-39-15-16-42-26(18-39)32-37-29(23-10-6-5-7-11-23)27(43-32)17-25-22(3)30(35-21(2)20-40)38-31(36-25)24-12-8-9-14-33-24/h4-12,14,21,26,40H,1,13,15-20H2,2-3H3,(H,34,41)(H,35,36,38)
• InChIKey: FGSTVJWCBDHOIU-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 125.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	599.76
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[[6-(1-hydroxypropan-2-ylamino)-5-methyl-2-pyridin-2-ylpyrimidin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-yl]morpholin-4-yl]-N-prop-2-enylacetamide?

The IUPAC name of 2-[2-[5-[[6-(1-hydroxypropan-2-ylamino)-5-methyl-2-pyridin-2-ylpyrimidin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-yl]morpholin-4-yl]-N-prop-2-enylacetamide (CID 142506874) is 2-[2-[5-[[6-(1-hydroxypropan-2-ylamino)-5-methyl-2-pyridin-2-ylpyrimidin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-yl]morpholin-4-yl]-N-prop-2-enylacetamide.

What is the SMILES notation for 2-[2-[5-[[6-(1-hydroxypropan-2-ylamino)-5-methyl-2-pyridin-2-ylpyrimidin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-yl]morpholin-4-yl]-N-prop-2-enylacetamide?

The canonical SMILES for 2-[2-[5-[[6-(1-hydroxypropan-2-ylamino)-5-methyl-2-pyridin-2-ylpyrimidin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-yl]morpholin-4-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCOC(c2nc(-c3ccccc3)c(Cc3nc(-c4ccccn4)nc(NC(C)CO)c3C)s2)C1.

What is the InChIKey of 2-[2-[5-[[6-(1-hydroxypropan-2-ylamino)-5-methyl-2-pyridin-2-ylpyrimidin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-yl]morpholin-4-yl]-N-prop-2-enylacetamide?

The InChIKey is FGSTVJWCBDHOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N7O3S/c1-4-13-34-28(41)19-39-15-16-42-26(18-39)32-37-29(23-10-6-5-7-11-23)27(43-32)17-25-22(3)30(35-21(2)20-40)38-31(36-25)24-12-8-9-14-33-24/h4-12,14,21,26,40H,1,13,15-20H2,2-3H3,(H,34,41)(H,35,36,38).

What are the key properties of 2-[2-[5-[[6-(1-hydroxypropan-2-ylamino)-5-methyl-2-pyridin-2-ylpyrimidin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-yl]morpholin-4-yl]-N-prop-2-enylacetamide?

2-[2-[5-[[6-(1-hydroxypropan-2-ylamino)-5-methyl-2-pyridin-2-ylpyrimidin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-yl]morpholin-4-yl]-N-prop-2-enylacetamide has a molecular weight of 599.76 g/mol, XLogP of 4.03, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[5-[[6-(1-hydroxypropan-2-ylamino)-5-methyl-2-pyridin-2-ylpyrimidin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-yl]morpholin-4-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 142506874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).