6-amino-1,3-dimethyl-5-[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]pyrimidine-2,4-dione

C24H23N5O4S — CID 42973460

About 6-amino-1,3-dimethyl-5-[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]pyrimidine-2,4-dione

6-amino-1,3-dimethyl-5-[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]pyrimidine-2,4-dione (PubChem CID 42973460) has the molecular formula C24H23N5O4S and a molecular weight of 477.55 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-5-[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-amino-1,3-dimethyl-5-[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]pyrimidine-2,4-dione
• PubChem CID: 42973460
• Molecular Formula: C24H23N5O4S
• Molecular Weight: 477.55 g/mol
• Exact Mass: 477.15
• IUPAC Name: 6-amino-1,3-dimethyl-5-[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]pyrimidine-2,4-dione
• SMILES: Cc1ccc(-n2c(SC(C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)nc3ccccc3c2=O)cc1
• InChI: InChI=1S/C24H23N5O4S/c1-13-9-11-15(12-10-13)29-21(31)16-7-5-6-8-17(16)26-23(29)34-14(2)19(30)18-20(25)27(3)24(33)28(4)22(18)32/h5-12,14H,25H2,1-4H3
• InChIKey: JGQQINCYOVCNIZ-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 121.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.55
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-dimethyl-5-[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]pyrimidine-2,4-dione?

The IUPAC name of 6-amino-1,3-dimethyl-5-[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]pyrimidine-2,4-dione (CID 42973460) is 6-amino-1,3-dimethyl-5-[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]pyrimidine-2,4-dione.

What is the SMILES notation for 6-amino-1,3-dimethyl-5-[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]pyrimidine-2,4-dione?

The canonical SMILES for 6-amino-1,3-dimethyl-5-[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]pyrimidine-2,4-dione is Cc1ccc(-n2c(SC(C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)nc3ccccc3c2=O)cc1.

What is the InChIKey of 6-amino-1,3-dimethyl-5-[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]pyrimidine-2,4-dione?

The InChIKey is JGQQINCYOVCNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4S/c1-13-9-11-15(12-10-13)29-21(31)16-7-5-6-8-17(16)26-23(29)34-14(2)19(30)18-20(25)27(3)24(33)28(4)22(18)32/h5-12,14H,25H2,1-4H3.

What are the key properties of 6-amino-1,3-dimethyl-5-[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]pyrimidine-2,4-dione?

6-amino-1,3-dimethyl-5-[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]pyrimidine-2,4-dione has a molecular weight of 477.55 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-1,3-dimethyl-5-[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]pyrimidine-2,4-dione is sourced from PubChem (CID 42973460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).