5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one

C20H20N6O3S — CID 89427200

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

5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 89427200) has the molecular formula C20H20N6O3S and a molecular weight of 424.49 g/mol. Its IUPAC name is 5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

• Compound Name: 5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
• PubChem CID: 89427200
• Molecular Formula: C20H20N6O3S
• Molecular Weight: 424.49 g/mol
• Exact Mass: 424.13
• IUPAC Name: 5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
• SMILES: COc1ncc(C2NC(=O)NC(C)=C2c2nc(-c3ccc(N)cc3)cs2)c(OC)n1
• InChI: InChI=1S/C20H20N6O3S/c1-10-15(18-24-14(9-30-18)11-4-6-12(21)7-5-11)16(25-19(27)23-10)13-8-22-20(29-3)26-17(13)28-2/h4-9,16H,21H2,1-3H3,(H2,23,25,27)
• InChIKey: NUEBQZKYHUXRCJ-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 124.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.49
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (CID 89427200) is 5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.

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

The canonical SMILES for 5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is COc1ncc(C2NC(=O)NC(C)=C2c2nc(-c3ccc(N)cc3)cs2)c(OC)n1.

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

The InChIKey is NUEBQZKYHUXRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3S/c1-10-15(18-24-14(9-30-18)11-4-6-12(21)7-5-11)16(25-19(27)23-10)13-8-22-20(29-3)26-17(13)28-2/h4-9,16H,21H2,1-3H3,(H2,23,25,27).

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

5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 424.49 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 89427200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).