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

C18H25ClN4O — CID 142664543

IUPAC4,6-dimethyl-2-[2-(2-phenylpiperazin-1-yl)ethoxy]pyrimidine;hydrochloride
SMILESCc1cc(C)nc(OCCN2CCNCC2c2ccccc2)n1.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-14-12-15(2)21-18(20-14)23-11-10-22-9-8-19-13-17(22)16-6-4-3-5-7-16;/h3-7,12,17,19H,8-11,13H2,1-2H3;1H
InChIKeyOAYPXAUQJWJEIW-UHFFFAOYSA-N
MW348.88 g/mol
LogP2.54
Rot. Bonds5

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

4,6-dimethyl-2-[2-(2-phenylpiperazin-1-yl)ethoxy]pyrimidine;hydrochloride (PubChem CID 142664543) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is 4,6-dimethyl-2-[2-(2-phenylpiperazin-1-yl)ethoxy]pyrimidine;hydrochloride.

Molecular Properties

Compound Name4,6-dimethyl-2-[2-(2-phenylpiperazin-1-yl)ethoxy]pyrimidine;hydrochloride
PubChem CID142664543
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC Name4,6-dimethyl-2-[2-(2-phenylpiperazin-1-yl)ethoxy]pyrimidine;hydrochloride
SMILESCc1cc(C)nc(OCCN2CCNCC2c2ccccc2)n1.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-14-12-15(2)21-18(20-14)23-11-10-22-9-8-19-13-17(22)16-6-4-3-5-7-16;/h3-7,12,17,19H,8-11,13H2,1-2H3;1H
InChIKeyOAYPXAUQJWJEIW-UHFFFAOYSA-N
XLogP2.54
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,6-dimethyl-2-[2-(2-phenylpiperazin-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-(2-methylphenyl)piperazin-1-yl]ethoxy]pyrimidine;hydrochloride
CID 142664545
1-(3-ethoxypropyl)-2-phenylpiperazine
CID 64938444
5-methyl-3-[2-(2-phenylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 106421514
trimethyl-[(2-phenylpiperazin-1-yl)methyl]silane
CID 10444724
2-(2-phenylpiperazin-1-yl)ethyl 3-oxobutanoate
CID 57179690
1-(3-fluoropropyl)-2-phenylpiperazine
CID 81114300
1-[2-(3-chlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755613
1-[2-(3-methylsulfonylphenoxy)ethyl]-2-pyridin-3-ylpiperazine
CID 120754265
1-(7-methyloctyl)-2-phenylpiperazine
CID 107818420
1-[2-(2-methoxyphenoxy)ethyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753829
1-(2-benzhydryloxyethyl)-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754776
2-phenyl-1-propyl-1,4-diazepane
CID 82242016

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[2-(2-phenylpiperazin-1-yl)ethoxy]pyrimidine;hydrochloride?
The IUPAC name of 4,6-dimethyl-2-[2-(2-phenylpiperazin-1-yl)ethoxy]pyrimidine;hydrochloride (CID 142664543) is 4,6-dimethyl-2-[2-(2-phenylpiperazin-1-yl)ethoxy]pyrimidine;hydrochloride.
What is the SMILES notation for 4,6-dimethyl-2-[2-(2-phenylpiperazin-1-yl)ethoxy]pyrimidine;hydrochloride?
The canonical SMILES for 4,6-dimethyl-2-[2-(2-phenylpiperazin-1-yl)ethoxy]pyrimidine;hydrochloride is Cc1cc(C)nc(OCCN2CCNCC2c2ccccc2)n1.Cl.
What is the InChIKey of 4,6-dimethyl-2-[2-(2-phenylpiperazin-1-yl)ethoxy]pyrimidine;hydrochloride?
The InChIKey is OAYPXAUQJWJEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.ClH/c1-14-12-15(2)21-18(20-14)23-11-10-22-9-8-19-13-17(22)16-6-4-3-5-7-16;/h3-7,12,17,19H,8-11,13H2,1-2H3;1H.
What are the key properties of 4,6-dimethyl-2-[2-(2-phenylpiperazin-1-yl)ethoxy]pyrimidine;hydrochloride?
4,6-dimethyl-2-[2-(2-phenylpiperazin-1-yl)ethoxy]pyrimidine;hydrochloride has a molecular weight of 348.88 g/mol, XLogP of 2.54, 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-phenylpiperazin-1-yl)ethoxy]pyrimidine;hydrochloride is sourced from PubChem (CID 142664543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).