4-methyl-6-(1-methylindol-2-yl)-5-[4-[2-methyl-4-(methyliminomethyl)phenyl]-1,3-thiazol-2-yl]-5,6-dihydro-1H-pyrimidin-2-one

C26H25N5OS — CID 123223692

About 4-methyl-6-(1-methylindol-2-yl)-5-[4-[2-methyl-4-(methyliminomethyl)phenyl]-1,3-thiazol-2-yl]-5,6-dihydro-1H-pyrimidin-2-one

4-methyl-6-(1-methylindol-2-yl)-5-[4-[2-methyl-4-(methyliminomethyl)phenyl]-1,3-thiazol-2-yl]-5,6-dihydro-1H-pyrimidin-2-one (PubChem CID 123223692) has the molecular formula C26H25N5OS and a molecular weight of 455.59 g/mol. Its IUPAC name is 4-methyl-6-(1-methylindol-2-yl)-5-[4-[2-methyl-4-(methyliminomethyl)phenyl]-1,3-thiazol-2-yl]-5,6-dihydro-1H-pyrimidin-2-one.

Molecular Properties

• Compound Name: 4-methyl-6-(1-methylindol-2-yl)-5-[4-[2-methyl-4-(methyliminomethyl)phenyl]-1,3-thiazol-2-yl]-5,6-dihydro-1H-pyrimidin-2-one
• PubChem CID: 123223692
• Molecular Formula: C26H25N5OS
• Molecular Weight: 455.59 g/mol
• Exact Mass: 455.18
• IUPAC Name: 4-methyl-6-(1-methylindol-2-yl)-5-[4-[2-methyl-4-(methyliminomethyl)phenyl]-1,3-thiazol-2-yl]-5,6-dihydro-1H-pyrimidin-2-one
• SMILES: C/N=C/c1ccc(-c2csc(C3C(C)=NC(=O)NC3c3cc4ccccc4n3C)n2)c(C)c1
• InChI: InChI=1S/C26H25N5OS/c1-15-11-17(13-27-3)9-10-19(15)20-14-33-25(29-20)23-16(2)28-26(32)30-24(23)22-12-18-7-5-6-8-21(18)31(22)4/h5-14,23-24H,1-4H3,(H,30,32)/b27-13+
• InChIKey: XJWPCJAXLYDHIR-UVHMKAGCSA-N
• XLogP: 5.67
• TPSA: 71.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.59
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(1-methylindol-2-yl)-5-[4-[2-methyl-4-(methyliminomethyl)phenyl]-1,3-thiazol-2-yl]-5,6-dihydro-1H-pyrimidin-2-one?

The IUPAC name of 4-methyl-6-(1-methylindol-2-yl)-5-[4-[2-methyl-4-(methyliminomethyl)phenyl]-1,3-thiazol-2-yl]-5,6-dihydro-1H-pyrimidin-2-one (CID 123223692) is 4-methyl-6-(1-methylindol-2-yl)-5-[4-[2-methyl-4-(methyliminomethyl)phenyl]-1,3-thiazol-2-yl]-5,6-dihydro-1H-pyrimidin-2-one.

What is the SMILES notation for 4-methyl-6-(1-methylindol-2-yl)-5-[4-[2-methyl-4-(methyliminomethyl)phenyl]-1,3-thiazol-2-yl]-5,6-dihydro-1H-pyrimidin-2-one?

The canonical SMILES for 4-methyl-6-(1-methylindol-2-yl)-5-[4-[2-methyl-4-(methyliminomethyl)phenyl]-1,3-thiazol-2-yl]-5,6-dihydro-1H-pyrimidin-2-one is C/N=C/c1ccc(-c2csc(C3C(C)=NC(=O)NC3c3cc4ccccc4n3C)n2)c(C)c1.

What is the InChIKey of 4-methyl-6-(1-methylindol-2-yl)-5-[4-[2-methyl-4-(methyliminomethyl)phenyl]-1,3-thiazol-2-yl]-5,6-dihydro-1H-pyrimidin-2-one?

The InChIKey is XJWPCJAXLYDHIR-UVHMKAGCSA-N. The full InChI is InChI=1S/C26H25N5OS/c1-15-11-17(13-27-3)9-10-19(15)20-14-33-25(29-20)23-16(2)28-26(32)30-24(23)22-12-18-7-5-6-8-21(18)31(22)4/h5-14,23-24H,1-4H3,(H,30,32)/b27-13+.

What are the key properties of 4-methyl-6-(1-methylindol-2-yl)-5-[4-[2-methyl-4-(methyliminomethyl)phenyl]-1,3-thiazol-2-yl]-5,6-dihydro-1H-pyrimidin-2-one?

4-methyl-6-(1-methylindol-2-yl)-5-[4-[2-methyl-4-(methyliminomethyl)phenyl]-1,3-thiazol-2-yl]-5,6-dihydro-1H-pyrimidin-2-one has a molecular weight of 455.59 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-6-(1-methylindol-2-yl)-5-[4-[2-methyl-4-(methyliminomethyl)phenyl]-1,3-thiazol-2-yl]-5,6-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 123223692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).