7-(4-chlorophenyl)-3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione

C24H23Cl2N5O2 — CID 53379403

IUPAC7-(4-chlorophenyl)-3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2c(-c3ccc(Cl)cc3)c[nH]c2c(=O)n1CCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C24H23Cl2N5O2/c25-17-7-5-16(6-8-17)18-15-27-22-21(18)28-24(33)31(23(22)32)14-11-29-9-12-30(13-10-29)20-4-2-1-3-19(20)26/h1-8,15,27H,9-14H2,(H,28,33)
InChIKeyJXDGJSIMHCXINS-UHFFFAOYSA-N
MW484.39 g/mol
LogP3.81
Rot. Bonds5

About 7-(4-chlorophenyl)-3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione

7-(4-chlorophenyl)-3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 53379403) has the molecular formula C24H23Cl2N5O2 and a molecular weight of 484.39 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-(4-chlorophenyl)-3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID53379403
Molecular FormulaC24H23Cl2N5O2
Molecular Weight484.39 g/mol
Exact Mass483.12
IUPAC Name7-(4-chlorophenyl)-3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2c(-c3ccc(Cl)cc3)c[nH]c2c(=O)n1CCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C24H23Cl2N5O2/c25-17-7-5-16(6-8-17)18-15-27-22-21(18)28-24(33)31(23(22)32)14-11-29-9-12-30(13-10-29)20-4-2-1-3-19(20)26/h1-8,15,27H,9-14H2,(H,28,33)
InChIKeyJXDGJSIMHCXINS-UHFFFAOYSA-N
XLogP3.81
TPSA77.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.39
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 7-(4-chlorophenyl)-3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione (CID 53379403) is 7-(4-chlorophenyl)-3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-(4-chlorophenyl)-3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-(4-chlorophenyl)-3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione is O=c1[nH]c2c(-c3ccc(Cl)cc3)c[nH]c2c(=O)n1CCN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 7-(4-chlorophenyl)-3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is JXDGJSIMHCXINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N5O2/c25-17-7-5-16(6-8-17)18-15-27-22-21(18)28-24(33)31(23(22)32)14-11-29-9-12-30(13-10-29)20-4-2-1-3-19(20)26/h1-8,15,27H,9-14H2,(H,28,33).
What are the key properties of 7-(4-chlorophenyl)-3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
7-(4-chlorophenyl)-3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 484.39 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 53379403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).