4-[[3-(1-ethyl-4-methoxypiperidin-4-yl)phenyl]methyl]-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidine

C26H39N5O — CID 90699955

IUPAC4-[[3-(1-ethyl-4-methoxypiperidin-4-yl)phenyl]methyl]-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidine
SMILESCCN1CCN(c2nc(C)cc(Cc3cccc(C4(OC)CCN(CC)CC4)c3)n2)CC1
InChIInChI=1S/C26H39N5O/c1-5-29-12-10-26(32-4,11-13-29)23-9-7-8-22(19-23)20-24-18-21(3)27-25(28-24)31-16-14-30(6-2)15-17-31/h7-9,18-19H,5-6,10-17,20H2,1-4H3
InChIKeyPORBQKCFORBSGR-UHFFFAOYSA-N
MW437.63 g/mol
LogP3.48
Rot. Bonds7

About 4-[[3-(1-ethyl-4-methoxypiperidin-4-yl)phenyl]methyl]-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidine

4-[[3-(1-ethyl-4-methoxypiperidin-4-yl)phenyl]methyl]-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidine (PubChem CID 90699955) has the molecular formula C26H39N5O and a molecular weight of 437.63 g/mol. Its IUPAC name is 4-[[3-(1-ethyl-4-methoxypiperidin-4-yl)phenyl]methyl]-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-[[3-(1-ethyl-4-methoxypiperidin-4-yl)phenyl]methyl]-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidine
PubChem CID90699955
Molecular FormulaC26H39N5O
Molecular Weight437.63 g/mol
Exact Mass437.32
IUPAC Name4-[[3-(1-ethyl-4-methoxypiperidin-4-yl)phenyl]methyl]-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidine
SMILESCCN1CCN(c2nc(C)cc(Cc3cccc(C4(OC)CCN(CC)CC4)c3)n2)CC1
InChIInChI=1S/C26H39N5O/c1-5-29-12-10-26(32-4,11-13-29)23-9-7-8-22(19-23)20-24-18-21(3)27-25(28-24)31-16-14-30(6-2)15-17-31/h7-9,18-19H,5-6,10-17,20H2,1-4H3
InChIKeyPORBQKCFORBSGR-UHFFFAOYSA-N
XLogP3.48
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.63
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[3-(1-ethyl-4-methoxypiperidin-4-yl)phenyl]methyl]-2-(4-ethylpiperazin-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-chlorophenyl)-1-ethyl-4-methoxypiperidine
CID 71167772
2-[2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-yl]ethanamine;hydrochloride
CID 82022831
N-(2,6-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326134
4-methyl-6-[(4-methylphenyl)methyl]-2-piperazin-1-ylpyrimidine
CID 157251381
N-[2-(3-chlorophenyl)ethyl]-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326060
2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine
CID 112914386
N-(2-ethyl-6-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
CID 112914381
2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109326029
N-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
CID 112914414
N-(3,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
CID 112914456
2-(4-ethylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-4-amine
CID 112914409
2-(4-ethylpiperazin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112914411

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1-ethyl-4-methoxypiperidin-4-yl)phenyl]methyl]-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidine?
The IUPAC name of 4-[[3-(1-ethyl-4-methoxypiperidin-4-yl)phenyl]methyl]-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidine (CID 90699955) is 4-[[3-(1-ethyl-4-methoxypiperidin-4-yl)phenyl]methyl]-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidine.
What is the SMILES notation for 4-[[3-(1-ethyl-4-methoxypiperidin-4-yl)phenyl]methyl]-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidine?
The canonical SMILES for 4-[[3-(1-ethyl-4-methoxypiperidin-4-yl)phenyl]methyl]-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidine is CCN1CCN(c2nc(C)cc(Cc3cccc(C4(OC)CCN(CC)CC4)c3)n2)CC1.
What is the InChIKey of 4-[[3-(1-ethyl-4-methoxypiperidin-4-yl)phenyl]methyl]-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidine?
The InChIKey is PORBQKCFORBSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N5O/c1-5-29-12-10-26(32-4,11-13-29)23-9-7-8-22(19-23)20-24-18-21(3)27-25(28-24)31-16-14-30(6-2)15-17-31/h7-9,18-19H,5-6,10-17,20H2,1-4H3.
What are the key properties of 4-[[3-(1-ethyl-4-methoxypiperidin-4-yl)phenyl]methyl]-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidine?
4-[[3-(1-ethyl-4-methoxypiperidin-4-yl)phenyl]methyl]-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidine has a molecular weight of 437.63 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1-ethyl-4-methoxypiperidin-4-yl)phenyl]methyl]-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidine is sourced from PubChem (CID 90699955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).