N-(2-methoxy-5-methylphenyl)-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine

C23H26N4O — CID 112934541

IUPACN-(2-methoxy-5-methylphenyl)-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine
SMILESCOc1ccc(C)cc1Nc1nc(-c2ccccc2)cc(N2CCCCC2)n1
InChIInChI=1S/C23H26N4O/c1-17-11-12-21(28-2)20(15-17)25-23-24-19(18-9-5-3-6-10-18)16-22(26-23)27-13-7-4-8-14-27/h3,5-6,9-12,15-16H,4,7-8,13-14H2,1-2H3,(H,24,25,26)
InChIKeyOGOCHKVKKLFLLA-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.19
Rot. Bonds5

About N-(2-methoxy-5-methylphenyl)-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine

N-(2-methoxy-5-methylphenyl)-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine (PubChem CID 112934541) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine
PubChem CID112934541
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-(2-methoxy-5-methylphenyl)-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine
SMILESCOc1ccc(C)cc1Nc1nc(-c2ccccc2)cc(N2CCCCC2)n1
InChIInChI=1S/C23H26N4O/c1-17-11-12-21(28-2)20(15-17)25-23-24-19(18-9-5-3-6-10-18)16-22(26-23)27-13-7-4-8-14-27/h3,5-6,9-12,15-16H,4,7-8,13-14H2,1-2H3,(H,24,25,26)
InChIKeyOGOCHKVKKLFLLA-UHFFFAOYSA-N
XLogP5.19
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-methoxyanilino)-6-phenylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112936593
N-(2-bromophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934190
N-(2-fluorophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934156
4-N,4-N-diethyl-2-N-(2-methoxy-5-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937674
4-phenyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934172
N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112888014
1-[4-[2-(2-methoxy-5-methylanilino)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914917
1-(2-methyl-6-phenylpyrimidin-4-yl)azepane
CID 16876766
N-(2,5-dimethoxyphenyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112880134
methyl 3-[(4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]benzoate
CID 112934184
N-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936317
4-(azepan-1-yl)-N-butyl-6-phenylpyrimidin-2-amine
CID 112933669

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine (CID 112934541) is N-(2-methoxy-5-methylphenyl)-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine is COc1ccc(C)cc1Nc1nc(-c2ccccc2)cc(N2CCCCC2)n1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine?
The InChIKey is OGOCHKVKKLFLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17-11-12-21(28-2)20(15-17)25-23-24-19(18-9-5-3-6-10-18)16-22(26-23)27-13-7-4-8-14-27/h3,5-6,9-12,15-16H,4,7-8,13-14H2,1-2H3,(H,24,25,26).
What are the key properties of N-(2-methoxy-5-methylphenyl)-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine?
N-(2-methoxy-5-methylphenyl)-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine has a molecular weight of 374.49 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 112934541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).