1-(3,4-dichlorophenyl)-6,7-dimethyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H15Cl2N3O3 — CID 3782168

About 1-(3,4-dichlorophenyl)-6,7-dimethyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3,4-dichlorophenyl)-6,7-dimethyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 3782168) has the molecular formula C23H15Cl2N3O3 and a molecular weight of 452.30 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-6,7-dimethyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(3,4-dichlorophenyl)-6,7-dimethyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 3782168
• Molecular Formula: C23H15Cl2N3O3
• Molecular Weight: 452.30 g/mol
• Exact Mass: 451.05
• IUPAC Name: 1-(3,4-dichlorophenyl)-6,7-dimethyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1cc2oc3c(c(=O)c2cc1C)C(c1ccc(Cl)c(Cl)c1)N(c1ncccn1)C3=O
• InChI: InChI=1S/C23H15Cl2N3O3/c1-11-8-14-17(9-12(11)2)31-21-18(20(14)29)19(13-4-5-15(24)16(25)10-13)28(22(21)30)23-26-6-3-7-27-23/h3-10,19H,1-2H3
• InChIKey: VUXFHWGYJBOGPT-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 76.30 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.30
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-6,7-dimethyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 1-(3,4-dichlorophenyl)-6,7-dimethyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 3782168) is 1-(3,4-dichlorophenyl)-6,7-dimethyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 1-(3,4-dichlorophenyl)-6,7-dimethyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 1-(3,4-dichlorophenyl)-6,7-dimethyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc2oc3c(c(=O)c2cc1C)C(c1ccc(Cl)c(Cl)c1)N(c1ncccn1)C3=O.

What is the InChIKey of 1-(3,4-dichlorophenyl)-6,7-dimethyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is VUXFHWGYJBOGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2N3O3/c1-11-8-14-17(9-12(11)2)31-21-18(20(14)29)19(13-4-5-15(24)16(25)10-13)28(22(21)30)23-26-6-3-7-27-23/h3-10,19H,1-2H3.

What are the key properties of 1-(3,4-dichlorophenyl)-6,7-dimethyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

1-(3,4-dichlorophenyl)-6,7-dimethyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 452.30 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-dichlorophenyl)-6,7-dimethyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 3782168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).