4,6-dimethyl-2-[2-[2-(2-methylphenyl)piperazin-1-yl]ethoxy]pyrimidine;hydrochloride

C19H27ClN4O — CID 142664545

IUPAC4,6-dimethyl-2-[2-[2-(2-methylphenyl)piperazin-1-yl]ethoxy]pyrimidine;hydrochloride
SMILESCc1cc(C)nc(OCCN2CCNCC2c2ccccc2C)n1.Cl
InChIInChI=1S/C19H26N4O.ClH/c1-14-6-4-5-7-17(14)18-13-20-8-9-23(18)10-11-24-19-21-15(2)12-16(3)22-19;/h4-7,12,18,20H,8-11,13H2,1-3H3;1H
InChIKeyAAZJNFLULPBUIX-UHFFFAOYSA-N
MW362.91 g/mol
LogP2.85
Rot. Bonds5

About 4,6-dimethyl-2-[2-[2-(2-methylphenyl)piperazin-1-yl]ethoxy]pyrimidine;hydrochloride

4,6-dimethyl-2-[2-[2-(2-methylphenyl)piperazin-1-yl]ethoxy]pyrimidine;hydrochloride (PubChem CID 142664545) has the molecular formula C19H27ClN4O and a molecular weight of 362.91 g/mol. Its IUPAC name is 4,6-dimethyl-2-[2-[2-(2-methylphenyl)piperazin-1-yl]ethoxy]pyrimidine;hydrochloride.

Molecular Properties

Compound Name4,6-dimethyl-2-[2-[2-(2-methylphenyl)piperazin-1-yl]ethoxy]pyrimidine;hydrochloride
PubChem CID142664545
Molecular FormulaC19H27ClN4O
Molecular Weight362.91 g/mol
Exact Mass362.19
IUPAC Name4,6-dimethyl-2-[2-[2-(2-methylphenyl)piperazin-1-yl]ethoxy]pyrimidine;hydrochloride
SMILESCc1cc(C)nc(OCCN2CCNCC2c2ccccc2C)n1.Cl
InChIInChI=1S/C19H26N4O.ClH/c1-14-6-4-5-7-17(14)18-13-20-8-9-23(18)10-11-24-19-21-15(2)12-16(3)22-19;/h4-7,12,18,20H,8-11,13H2,1-3H3;1H
InChIKeyAAZJNFLULPBUIX-UHFFFAOYSA-N
XLogP2.85
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.91
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,6-dimethyl-2-[2-[2-(2-methylphenyl)piperazin-1-yl]ethoxy]pyrimidine;hydrochloride 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

4,6-dimethyl-2-[2-(2-phenylpiperazin-1-yl)ethoxy]pyrimidine;hydrochloride
CID 142664543
1-[2-(2-methoxyphenoxy)ethyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753829
1-(2-methoxyethyl)-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753905
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylquinoline;dihydrochloride
CID 120753959
2-(2-methoxyphenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120767246
2-(2-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 110109239
1-but-3-enyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753931
2-(1-methylimidazol-2-yl)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazine;hydrochloride
CID 120870422
3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
CID 120768922
2-(2-methoxyphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperazine;hydrochloride
CID 120767521
1-[2-(2,6-dichlorophenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120870426
1-[2-(4-methoxyphenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120871137

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[2-[2-(2-methylphenyl)piperazin-1-yl]ethoxy]pyrimidine;hydrochloride?
The IUPAC name of 4,6-dimethyl-2-[2-[2-(2-methylphenyl)piperazin-1-yl]ethoxy]pyrimidine;hydrochloride (CID 142664545) is 4,6-dimethyl-2-[2-[2-(2-methylphenyl)piperazin-1-yl]ethoxy]pyrimidine;hydrochloride.
What is the SMILES notation for 4,6-dimethyl-2-[2-[2-(2-methylphenyl)piperazin-1-yl]ethoxy]pyrimidine;hydrochloride?
The canonical SMILES for 4,6-dimethyl-2-[2-[2-(2-methylphenyl)piperazin-1-yl]ethoxy]pyrimidine;hydrochloride is Cc1cc(C)nc(OCCN2CCNCC2c2ccccc2C)n1.Cl.
What is the InChIKey of 4,6-dimethyl-2-[2-[2-(2-methylphenyl)piperazin-1-yl]ethoxy]pyrimidine;hydrochloride?
The InChIKey is AAZJNFLULPBUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O.ClH/c1-14-6-4-5-7-17(14)18-13-20-8-9-23(18)10-11-24-19-21-15(2)12-16(3)22-19;/h4-7,12,18,20H,8-11,13H2,1-3H3;1H.
What are the key properties of 4,6-dimethyl-2-[2-[2-(2-methylphenyl)piperazin-1-yl]ethoxy]pyrimidine;hydrochloride?
4,6-dimethyl-2-[2-[2-(2-methylphenyl)piperazin-1-yl]ethoxy]pyrimidine;hydrochloride has a molecular weight of 362.91 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[2-[2-(2-methylphenyl)piperazin-1-yl]ethoxy]pyrimidine;hydrochloride is sourced from PubChem (CID 142664545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).