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

C20H25N5O3 — CID 11199944

IUPAC3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCOc1ccccc1N1CCN(CCCn2c(=O)[nH]c3cc[nH]c3c2=O)CC1
InChIInChI=1S/C20H25N5O3/c1-28-17-6-3-2-5-16(17)24-13-11-23(12-14-24)9-4-10-25-19(26)18-15(7-8-21-18)22-20(25)27/h2-3,5-8,21H,4,9-14H2,1H3,(H,22,27)
InChIKeyDBLZRCFEKDXYDR-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.24
Rot. Bonds6

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

3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 11199944) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID11199944
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCOc1ccccc1N1CCN(CCCn2c(=O)[nH]c3cc[nH]c3c2=O)CC1
InChIInChI=1S/C20H25N5O3/c1-28-17-6-3-2-5-16(17)24-13-11-23(12-14-24)9-4-10-25-19(26)18-15(7-8-21-18)22-20(25)27/h2-3,5-8,21H,4,9-14H2,1H3,(H,22,27)
InChIKeyDBLZRCFEKDXYDR-UHFFFAOYSA-N
XLogP1.24
TPSA86.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione (CID 11199944) is 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione is COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3cc[nH]c3c2=O)CC1.
What is the InChIKey of 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is DBLZRCFEKDXYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-28-17-6-3-2-5-16(17)24-13-11-23(12-14-24)9-4-10-25-19(26)18-15(7-8-21-18)22-20(25)27/h2-3,5-8,21H,4,9-14H2,1H3,(H,22,27).
What are the key properties of 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 383.45 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 11199944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).