6-[3-[2-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione

C20H29N5O3 — CID 18798253

IUPAC6-[3-[2-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1ccccc1C1CNCCN1CCCNc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C20H29N5O3/c1-23-18(13-19(26)24(2)20(23)27)22-9-6-11-25-12-10-21-14-16(25)15-7-4-5-8-17(15)28-3/h4-5,7-8,13,16,21-22H,6,9-12,14H2,1-3H3
InChIKeyGCKCOFDHXRUYBH-UHFFFAOYSA-N
MW387.48 g/mol
LogP0.54
Rot. Bonds7

About 6-[3-[2-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione

6-[3-[2-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 18798253) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 6-[3-[2-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[3-[2-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID18798253
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC Name6-[3-[2-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1ccccc1C1CNCCN1CCCNc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C20H29N5O3/c1-23-18(13-19(26)24(2)20(23)27)22-9-6-11-25-12-10-21-14-16(25)15-7-4-5-8-17(15)28-3/h4-5,7-8,13,16,21-22H,6,9-12,14H2,1-3H3
InChIKeyGCKCOFDHXRUYBH-UHFFFAOYSA-N
XLogP0.54
TPSA80.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 120753884
1-(2-methoxyethyl)-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753905
2-(2-methoxyphenyl)-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride
CID 120753314
1-[2-(2-methoxyphenoxy)ethyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753829
1-but-3-enyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753931
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 120753647
N-(2,5-dimethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120753359
N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753574
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 120753930
N-(3,5-difluorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753312
2-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazole
CID 120753952
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride
CID 120753875

Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[3-[2-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione (CID 18798253) is 6-[3-[2-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[3-[2-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[3-[2-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione is COc1ccccc1C1CNCCN1CCCNc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 6-[3-[2-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is GCKCOFDHXRUYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-23-18(13-19(26)24(2)20(23)27)22-9-6-11-25-12-10-21-14-16(25)15-7-4-5-8-17(15)28-3/h4-5,7-8,13,16,21-22H,6,9-12,14H2,1-3H3.
What are the key properties of 6-[3-[2-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione?
6-[3-[2-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 387.48 g/mol, XLogP of 0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 18798253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).