N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine

C22H24N4 — CID 156544080

IUPACN-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine
SMILESCc1ccc(Nc2cc(-c3ccccc3)nc(C3CCCNC3)n2)cc1
InChIInChI=1S/C22H24N4/c1-16-9-11-19(12-10-16)24-21-14-20(17-6-3-2-4-7-17)25-22(26-21)18-8-5-13-23-15-18/h2-4,6-7,9-12,14,18,23H,5,8,13,15H2,1H3,(H,24,25,26)
InChIKeyFJXYRLUPNYWIAC-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.66
Rot. Bonds4

About N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine

N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine (PubChem CID 156544080) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine
PubChem CID156544080
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC NameN-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine
SMILESCc1ccc(Nc2cc(-c3ccccc3)nc(C3CCCNC3)n2)cc1
InChIInChI=1S/C22H24N4/c1-16-9-11-19(12-10-16)24-21-14-20(17-6-3-2-4-7-17)25-22(26-21)18-8-5-13-23-15-18/h2-4,6-7,9-12,14,18,23H,5,8,13,15H2,1H3,(H,24,25,26)
InChIKeyFJXYRLUPNYWIAC-UHFFFAOYSA-N
XLogP4.66
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,1-dimethyl-3-N-(6-phenyl-2-piperidin-3-ylpyrimidin-4-yl)cyclohexa-3,5-diene-1,3-diamine
CID 175785622
4-N,4-dimethyl-1-N-(6-phenyl-2-piperidin-3-ylpyrimidin-4-yl)cyclohexa-1,5-diene-1,4-diamine
CID 150651789
N-(2-ethylphenyl)-2-[(3R)-piperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-amine
CID 124984466
4-N-(4-methylphenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932857
4-(3-fluorophenyl)-6-methyl-2-[(3S)-piperidin-3-yl]pyrimidine
CID 124746275
2-N-tert-butyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937847
4,6-dimethyl-2-piperidin-3-ylpyrimidine
CID 63317441
4-cyclopentyl-6-methyl-2-piperidin-3-ylpyrimidine
CID 55203946
2-N,2-N-diethyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937720
6-methyl-2-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
CID 125027098
4,6-dimethyl-2-piperidin-3-ylpyrimidine;dihydrochloride
CID 71299007
5-(4-methylphenyl)-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939484

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine?
The IUPAC name of N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine (CID 156544080) is N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine is Cc1ccc(Nc2cc(-c3ccccc3)nc(C3CCCNC3)n2)cc1.
What is the InChIKey of N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine?
The InChIKey is FJXYRLUPNYWIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4/c1-16-9-11-19(12-10-16)24-21-14-20(17-6-3-2-4-7-17)25-22(26-21)18-8-5-13-23-15-18/h2-4,6-7,9-12,14,18,23H,5,8,13,15H2,1H3,(H,24,25,26).
What are the key properties of N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine?
N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine has a molecular weight of 344.46 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 156544080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).