N,N-dimethyl-4-[(1R)-1-phenyl-2-pyrimidin-4-ylethyl]aniline

C20H21N3 — CID 139095953

IUPACN,N-dimethyl-4-[(1R)-1-phenyl-2-pyrimidin-4-ylethyl]aniline
SMILESCN(C)c1ccc([C@H](Cc2ccncn2)c2ccccc2)cc1
InChIInChI=1S/C20H21N3/c1-23(2)19-10-8-17(9-11-19)20(16-6-4-3-5-7-16)14-18-12-13-21-15-22-18/h3-13,15,20H,14H2,1-2H3/t20-/m1/s1
InChIKeyGPYHDXRGWHIEKI-HXUWFJFHSA-N
MW303.41 g/mol
LogP3.92
Rot. Bonds5

About N,N-dimethyl-4-[(1R)-1-phenyl-2-pyrimidin-4-ylethyl]aniline

N,N-dimethyl-4-[(1R)-1-phenyl-2-pyrimidin-4-ylethyl]aniline (PubChem CID 139095953) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is N,N-dimethyl-4-[(1R)-1-phenyl-2-pyrimidin-4-ylethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(1R)-1-phenyl-2-pyrimidin-4-ylethyl]aniline
PubChem CID139095953
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC NameN,N-dimethyl-4-[(1R)-1-phenyl-2-pyrimidin-4-ylethyl]aniline
SMILESCN(C)c1ccc([C@H](Cc2ccncn2)c2ccccc2)cc1
InChIInChI=1S/C20H21N3/c1-23(2)19-10-8-17(9-11-19)20(16-6-4-3-5-7-16)14-18-12-13-21-15-22-18/h3-13,15,20H,14H2,1-2H3/t20-/m1/s1
InChIKeyGPYHDXRGWHIEKI-HXUWFJFHSA-N
XLogP3.92
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(1R)-1-phenyl-2-pyrimidin-4-ylethyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(1R)-1-phenyl-2-pyrimidin-4-ylethyl]aniline (CID 139095953) is N,N-dimethyl-4-[(1R)-1-phenyl-2-pyrimidin-4-ylethyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(1R)-1-phenyl-2-pyrimidin-4-ylethyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(1R)-1-phenyl-2-pyrimidin-4-ylethyl]aniline is CN(C)c1ccc([C@H](Cc2ccncn2)c2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(1R)-1-phenyl-2-pyrimidin-4-ylethyl]aniline?
The InChIKey is GPYHDXRGWHIEKI-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21N3/c1-23(2)19-10-8-17(9-11-19)20(16-6-4-3-5-7-16)14-18-12-13-21-15-22-18/h3-13,15,20H,14H2,1-2H3/t20-/m1/s1.
What are the key properties of N,N-dimethyl-4-[(1R)-1-phenyl-2-pyrimidin-4-ylethyl]aniline?
N,N-dimethyl-4-[(1R)-1-phenyl-2-pyrimidin-4-ylethyl]aniline has a molecular weight of 303.41 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(1R)-1-phenyl-2-pyrimidin-4-ylethyl]aniline is sourced from PubChem (CID 139095953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).