N-(2,5-dimethoxyphenyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine

C23H26N4O2 — CID 112880134

IUPACN-(2,5-dimethoxyphenyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine
SMILESCOc1ccc(OC)c(Nc2cc(N3CCCCC3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H26N4O2/c1-28-18-11-12-20(29-2)19(15-18)24-21-16-22(27-13-7-4-8-14-27)26-23(25-21)17-9-5-3-6-10-17/h3,5-6,9-12,15-16H,4,7-8,13-14H2,1-2H3,(H,24,25,26)
InChIKeyQSDVHFDTFXTRAL-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.89
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine

N-(2,5-dimethoxyphenyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 112880134) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID112880134
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-(2,5-dimethoxyphenyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine
SMILESCOc1ccc(OC)c(Nc2cc(N3CCCCC3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H26N4O2/c1-28-18-11-12-20(29-2)19(15-18)24-21-16-22(27-13-7-4-8-14-27)26-23(25-21)17-9-5-3-6-10-17/h3,5-6,9-12,15-16H,4,7-8,13-14H2,1-2H3,(H,24,25,26)
InChIKeyQSDVHFDTFXTRAL-UHFFFAOYSA-N
XLogP4.89
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880580
4-N-cyclopentyl-6-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112880075
N-[2-(4-methoxyphenyl)ethyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112879966
5-methyl-N-(2-phenyl-6-piperidin-1-ylpyrimidin-4-yl)-1,2-oxazol-3-amine
CID 112880152
2-phenyl-6-piperidin-1-yl-N-propan-2-ylpyrimidin-4-amine
CID 112879295
N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880581
6-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-2-phenylpyrimidin-4-amine
CID 112881049
1-[4-[(2-phenyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]ethanone
CID 112880138
N-(2-methoxy-5-methylphenyl)-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112934541
N-(3-chloro-4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880572
6-(2,5-dimethoxyanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851430
N-(2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 99968422

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine (CID 112880134) is N-(2,5-dimethoxyphenyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine is COc1ccc(OC)c(Nc2cc(N3CCCCC3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is QSDVHFDTFXTRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-28-18-11-12-20(29-2)19(15-18)24-21-16-22(27-13-7-4-8-14-27)26-23(25-21)17-9-5-3-6-10-17/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-(2,5-dimethoxyphenyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine?
N-(2,5-dimethoxyphenyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 390.49 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112880134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).