4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine

C16H20N4O — CID 163353209

IUPAC4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine
SMILESCOc1ccc(N2CCN(c3cc(C)ncn3)CC2)cc1
InChIInChI=1S/C16H20N4O/c1-13-11-16(18-12-17-13)20-9-7-19(8-10-20)14-3-5-15(21-2)6-4-14/h3-6,11-12H,7-10H2,1-2H3
InChIKeyGJAPRIXDRCULNI-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.12
Rot. Bonds3

About 4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine

4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine (PubChem CID 163353209) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine
PubChem CID163353209
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine
SMILESCOc1ccc(N2CCN(c3cc(C)ncn3)CC2)cc1
InChIInChI=1S/C16H20N4O/c1-13-11-16(18-12-17-13)20-9-7-19(8-10-20)14-3-5-15(21-2)6-4-14/h3-6,11-12H,7-10H2,1-2H3
InChIKeyGJAPRIXDRCULNI-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine 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-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine
CID 108781304
(2R)-4-(4-methoxyphenyl)-1-(6-methylpyrimidin-4-yl)piperazine-2-carboxamide
CID 95843290
6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine
CID 112864698
6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazoline
CID 126894296
2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazine
CID 4780942
N-(2-chlorophenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112864713
2-tert-butyl-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridine
CID 171690568
(3-methoxyphenyl)-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108755288
5-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazin-2-amine
CID 80651957
4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-6-methylpyrimidine
CID 126892964
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinoline
CID 4884632
ethyl 2-(4-methoxyphenyl)-4-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine-5-carboxylate
CID 108773563

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine?
The IUPAC name of 4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine (CID 163353209) is 4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine?
The canonical SMILES for 4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine is COc1ccc(N2CCN(c3cc(C)ncn3)CC2)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine?
The InChIKey is GJAPRIXDRCULNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-13-11-16(18-12-17-13)20-9-7-19(8-10-20)14-3-5-15(21-2)6-4-14/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine?
4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine has a molecular weight of 284.36 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine is sourced from PubChem (CID 163353209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).