2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(7R)-7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide

C17H19N5O2S — CID 25420900

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(7R)-7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(7R)-7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide (PubChem CID 25420900) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(7R)-7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(7R)-7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
• PubChem CID: 25420900
• Molecular Formula: C17H19N5O2S
• Molecular Weight: 357.44 g/mol
• Exact Mass: 357.13
• IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(7R)-7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
• SMILES: Cc1cc(C)nc(SCC(=O)Nc2ncc3c(n2)C[C@@H](C)CC3=O)n1
• InChI: InChI=1S/C17H19N5O2S/c1-9-4-13-12(14(23)5-9)7-18-16(21-13)22-15(24)8-25-17-19-10(2)6-11(3)20-17/h6-7,9H,4-5,8H2,1-3H3,(H,18,21,22,24)/t9-/m1/s1
• InChIKey: LMFSGNRLUNHFOO-SECBINFHSA-N
• XLogP: 2.38
• TPSA: 97.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.44
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(7R)-7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide?

The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(7R)-7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide (CID 25420900) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(7R)-7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide.

What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(7R)-7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide?

The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(7R)-7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide is Cc1cc(C)nc(SCC(=O)Nc2ncc3c(n2)C[C@@H](C)CC3=O)n1.

What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(7R)-7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide?

The InChIKey is LMFSGNRLUNHFOO-SECBINFHSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-9-4-13-12(14(23)5-9)7-18-16(21-13)22-15(24)8-25-17-19-10(2)6-11(3)20-17/h6-7,9H,4-5,8H2,1-3H3,(H,18,21,22,24)/t9-/m1/s1.

What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(7R)-7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide?

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(7R)-7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide has a molecular weight of 357.44 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(7R)-7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide is sourced from PubChem (CID 25420900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).