2-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]pyrimidine

C16H20N4O — CID 110258059

IUPAC2-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]pyrimidine
SMILESCOc1ccccc1C1CN(c2ncccn2)CCN1C
InChIInChI=1S/C16H20N4O/c1-19-10-11-20(16-17-8-5-9-18-16)12-14(19)13-6-3-4-7-15(13)21-2/h3-9,14H,10-12H2,1-2H3
InChIKeyAZZSRSHEOHCCDJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.98
Rot. Bonds3

About 2-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]pyrimidine

2-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]pyrimidine (PubChem CID 110258059) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]pyrimidine
PubChem CID110258059
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]pyrimidine
SMILESCOc1ccccc1C1CN(c2ncccn2)CCN1C
InChIInChI=1S/C16H20N4O/c1-19-10-11-20(16-17-8-5-9-18-16)12-14(19)13-6-3-4-7-15(13)21-2/h3-9,14H,10-12H2,1-2H3
InChIKeyAZZSRSHEOHCCDJ-UHFFFAOYSA-N
XLogP1.98
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Thonzylamine
CID 5457
Thonzonium
CID 5456
Thonzylamine Hydrochloride
CID 6136
Thonzonium Bromide
CID 11102
2-[4-(4-Methoxyphenyl)-1-piperazinyl]pyrimidine
CID 198995
4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 20855152
1-[3-(5-Methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)-propyl]-4-pyridin-2-yl-piperazine
CID 10248163
cis-1-(4-(3-Methoxyphenyl)cyclohexyl)-4-(pyridin-2-yl)piperazine
CID 10020855
cis-1-(4-(2-Methoxyphenyl)cyclohexyl)-4-(pyridin-2-yl)piperazine
CID 10871856
(4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-cyclohexyl)-pyrimidin-2-yl-amine
CID 11795011
2-[(2S)-2-(4-fluoro-2-methoxyphenyl)morpholin-4-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 57798425
[4,4-Bipyrimidin]-6(1h)-one, 2-[(2s)-2-(2-methoxyphenyl)-4-morpholinyl]-1-methyl-
CID 57798492

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]pyrimidine?
The IUPAC name of 2-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]pyrimidine (CID 110258059) is 2-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]pyrimidine is COc1ccccc1C1CN(c2ncccn2)CCN1C.
What is the InChIKey of 2-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]pyrimidine?
The InChIKey is AZZSRSHEOHCCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-19-10-11-20(16-17-8-5-9-18-16)12-14(19)13-6-3-4-7-15(13)21-2/h3-9,14H,10-12H2,1-2H3.
What are the key properties of 2-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]pyrimidine?
2-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]pyrimidine has a molecular weight of 284.36 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 110258059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).