5-iodo-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine

C15H17IN4O — CID 115620486

IUPAC5-iodo-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine
SMILESCOc1ccccc1N1CCN(c2ncc(I)cn2)CC1
InChIInChI=1S/C15H17IN4O/c1-21-14-5-3-2-4-13(14)19-6-8-20(9-7-19)15-17-10-12(16)11-18-15/h2-5,10-11H,6-9H2,1H3
InChIKeyIXHOGKTZAAWVHG-UHFFFAOYSA-N
MW396.23 g/mol
LogP2.42
Rot. Bonds3

About 5-iodo-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine

5-iodo-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine (PubChem CID 115620486) has the molecular formula C15H17IN4O and a molecular weight of 396.23 g/mol. Its IUPAC name is 5-iodo-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-iodo-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine
PubChem CID115620486
Molecular FormulaC15H17IN4O
Molecular Weight396.23 g/mol
Exact Mass396.04
IUPAC Name5-iodo-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine
SMILESCOc1ccccc1N1CCN(c2ncc(I)cn2)CC1
InChIInChI=1S/C15H17IN4O/c1-21-14-5-3-2-4-13(14)19-6-8-20(9-7-19)15-17-10-12(16)11-18-15/h2-5,10-11H,6-9H2,1H3
InChIKeyIXHOGKTZAAWVHG-UHFFFAOYSA-N
XLogP2.42
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.23
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249260
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 109262038
2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-4-carbonitrile
CID 163343712
1-(2-methoxyphenyl)-4-nitrosopiperazine
CID 154814146
1-ethynyl-4-(2-methoxyphenyl)piperazine
CID 67760707
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 41337436
4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 4811206
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898253
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
4-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 51491376
1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine
CID 155941923
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine
CID 155823172

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 5-iodo-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine (CID 115620486) is 5-iodo-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-iodo-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-iodo-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine is COc1ccccc1N1CCN(c2ncc(I)cn2)CC1.
What is the InChIKey of 5-iodo-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine?
The InChIKey is IXHOGKTZAAWVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN4O/c1-21-14-5-3-2-4-13(14)19-6-8-20(9-7-19)15-17-10-12(16)11-18-15/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 5-iodo-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine?
5-iodo-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine has a molecular weight of 396.23 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 115620486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).