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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethoxy-6-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-1,3,5-triazine
CID 110090523
2-(2-methoxyphenyl)-1-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazine
CID 110096855
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 112507549
(2R)-2-(2-methoxyphenyl)-1-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine
CID 124992562
4-ethylsulfonyl-2-(2-methoxyphenyl)-1-methylpiperazine
CID 110293209
cyclopropyl-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293137
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-pyrazol-1-ylethanone
CID 110098353
2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 110096819
[(3S)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124973894
[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 124992452
(2S)-4-(1-ethylpiperidin-4-yl)-2-(2-methoxyphenyl)-1-methylpiperazine
CID 125017271
N,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 110293203

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).