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

C19H22ClN5O2 — CID 11188377

IUPAC3-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2cc[nH]c2c(=O)n1CCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C19H22ClN5O2/c20-14-4-1-2-5-16(14)24-12-10-23(11-13-24)8-3-9-25-18(26)17-15(6-7-21-17)22-19(25)27/h1-2,4-7,21H,3,8-13H2,(H,22,27)
InChIKeyFSJZSJGMVGQEMC-UHFFFAOYSA-N
MW387.87 g/mol
LogP1.88
Rot. Bonds5

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

3-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 11188377) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is 3-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID11188377
Molecular FormulaC19H22ClN5O2
Molecular Weight387.87 g/mol
Exact Mass387.15
IUPAC Name3-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2cc[nH]c2c(=O)n1CCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C19H22ClN5O2/c20-14-4-1-2-5-16(14)24-12-10-23(11-13-24)8-3-9-25-18(26)17-15(6-7-21-17)22-19(25)27/h1-2,4-7,21H,3,8-13H2,(H,22,27)
InChIKeyFSJZSJGMVGQEMC-UHFFFAOYSA-N
XLogP1.88
TPSA77.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione (CID 11188377) is 3-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione is O=c1[nH]c2cc[nH]c2c(=O)n1CCCN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 3-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is FSJZSJGMVGQEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O2/c20-14-4-1-2-5-16(14)24-12-10-23(11-13-24)8-3-9-25-18(26)17-15(6-7-21-17)22-19(25)27/h1-2,4-7,21H,3,8-13H2,(H,22,27).
What are the key properties of 3-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
3-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 387.87 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 11188377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).