N-(4-methoxyphenyl)-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine

C22H24N4O — CID 112934626

IUPACN-(4-methoxyphenyl)-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(-c3ccccc3)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C22H24N4O/c1-27-19-12-10-18(11-13-19)23-21-16-20(17-8-4-2-5-9-17)24-22(25-21)26-14-6-3-7-15-26/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,23,24,25)
InChIKeyMXQXJMMBFRYFQQ-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.89
Rot. Bonds5

About N-(4-methoxyphenyl)-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine

N-(4-methoxyphenyl)-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine (PubChem CID 112934626) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine
PubChem CID112934626
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-(4-methoxyphenyl)-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(-c3ccccc3)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C22H24N4O/c1-27-19-12-10-18(11-13-19)23-21-16-20(17-8-4-2-5-9-17)24-22(25-21)26-14-6-3-7-15-26/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,23,24,25)
InChIKeyMXQXJMMBFRYFQQ-UHFFFAOYSA-N
XLogP4.89
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-methoxyphenyl)-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine 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-phenyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzonitrile
CID 112934337
N-(4-methoxyphenyl)-6-(4-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 57399456
N-methyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 62192650
N-(3-fluorophenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934325
N-(3,4-dimethoxyphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935575
N-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936399
N-[(2-methoxyphenyl)methyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934233
6-(2-aminopyrimidin-5-yl)-N-(4-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507485
4-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine
CID 1350768
2-[(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)amino]benzonitrile
CID 112934646
N',N'-dimethyl-N-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 112934570
4-[4-(4-fluoroanilino)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112936647

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine (CID 112934626) is N-(4-methoxyphenyl)-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine is COc1ccc(Nc2cc(-c3ccccc3)nc(N3CCCCC3)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is MXQXJMMBFRYFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-27-19-12-10-18(11-13-19)23-21-16-20(17-8-4-2-5-9-17)24-22(25-21)26-14-6-3-7-15-26/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,23,24,25).
What are the key properties of N-(4-methoxyphenyl)-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine?
N-(4-methoxyphenyl)-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 360.46 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112934626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).