(2R)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide

C25H28N6O2S — CID 157124057

About (2R)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide

(2R)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide (PubChem CID 157124057) has the molecular formula C25H28N6O2S and a molecular weight of 476.61 g/mol. Its IUPAC name is (2R)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide.

Molecular Properties

• Compound Name: (2R)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
• PubChem CID: 157124057
• Molecular Formula: C25H28N6O2S
• Molecular Weight: 476.61 g/mol
• Exact Mass: 476.20
• IUPAC Name: (2R)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
• SMILES: CNC(=O)[C@H](C)Cn1cnc2ccc(-c3cnc(C)c(NCc4sc(C)nc4C)c3)cc2c1=O
• InChI: InChI=1S/C25H28N6O2S/c1-14(24(32)26-5)12-31-13-29-21-7-6-18(8-20(21)25(31)33)19-9-22(15(2)27-10-19)28-11-23-16(3)30-17(4)34-23/h6-10,13-14,28H,11-12H2,1-5H3,(H,26,32)/t14-/m1/s1
• InChIKey: YMOONZBEJHXIGZ-CQSZACIVSA-N
• XLogP: 3.83
• TPSA: 101.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.61
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?

The IUPAC name of (2R)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide (CID 157124057) is (2R)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide.

What is the SMILES notation for (2R)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?

The canonical SMILES for (2R)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide is CNC(=O)[C@H](C)Cn1cnc2ccc(-c3cnc(C)c(NCc4sc(C)nc4C)c3)cc2c1=O.

What is the InChIKey of (2R)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?

The InChIKey is YMOONZBEJHXIGZ-CQSZACIVSA-N. The full InChI is InChI=1S/C25H28N6O2S/c1-14(24(32)26-5)12-31-13-29-21-7-6-18(8-20(21)25(31)33)19-9-22(15(2)27-10-19)28-11-23-16(3)30-17(4)34-23/h6-10,13-14,28H,11-12H2,1-5H3,(H,26,32)/t14-/m1/s1.

What are the key properties of (2R)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?

(2R)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide has a molecular weight of 476.61 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 157124057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).