4,5-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine

C17H22N4 — CID 154829084

IUPAC4,5-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine
SMILESCc1cccc(N2CCN(c3ncnc(C)c3C)CC2)c1
InChIInChI=1S/C17H22N4/c1-13-5-4-6-16(11-13)20-7-9-21(10-8-20)17-14(2)15(3)18-12-19-17/h4-6,11-12H,7-10H2,1-3H3
InChIKeyICCWCBVKQRAGED-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.73
Rot. Bonds2

About 4,5-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine

4,5-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine (PubChem CID 154829084) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4,5-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4,5-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine
PubChem CID154829084
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name4,5-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine
SMILESCc1cccc(N2CCN(c3ncnc(C)c3C)CC2)c1
InChIInChI=1S/C17H22N4/c1-13-5-4-6-16(11-13)20-7-9-21(10-8-20)17-14(2)15(3)18-12-19-17/h4-6,11-12H,7-10H2,1-3H3
InChIKeyICCWCBVKQRAGED-UHFFFAOYSA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,5-dimethyl-6-[4-(3-methylphenyl)piperazin-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

5-bromo-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine
CID 66343054
6-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinazoline
CID 21002638
2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-methylquinoxaline
CID 139027361
4-(5,6-dimethylpyrimidin-4-yl)-1-[(3-methylphenyl)methyl]piperazin-2-one
CID 171324156
4-chloro-5-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine
CID 63735916
1-chloro-4-[4-(3-methylphenyl)piperazin-1-yl]phthalazine
CID 15124641
4-[4-(3-methylphenyl)piperazin-1-yl]-6-(1H-pyrazol-1-ium-4-yl)quinazoline
CID 163459861
4,5-dimethyl-6-[4-[4-(4-phenylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]pyrimidine
CID 155976322
7-methyl-3-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 129223538
1-methyl-4-(3-methylphenyl)-1,4-diazepane
CID 118420862
4,5-dimethyl-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 146074558
1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508453

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4,5-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine (CID 154829084) is 4,5-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4,5-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4,5-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine is Cc1cccc(N2CCN(c3ncnc(C)c3C)CC2)c1.
What is the InChIKey of 4,5-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine?
The InChIKey is ICCWCBVKQRAGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-13-5-4-6-16(11-13)20-7-9-21(10-8-20)17-14(2)15(3)18-12-19-17/h4-6,11-12H,7-10H2,1-3H3.
What are the key properties of 4,5-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine?
4,5-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine has a molecular weight of 282.39 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 154829084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).