N,N-diethyl-2,6-diphenylpyrimidin-4-amine

C20H21N3 — CID 2057498

IUPACN,N-diethyl-2,6-diphenylpyrimidin-4-amine
SMILESCCN(CC)c1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H21N3/c1-3-23(4-2)19-15-18(16-11-7-5-8-12-16)21-20(22-19)17-13-9-6-10-14-17/h5-15H,3-4H2,1-2H3
InChIKeyQIJDRAYUFOYVAT-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.66
Rot. Bonds5

About N,N-diethyl-2,6-diphenylpyrimidin-4-amine

N,N-diethyl-2,6-diphenylpyrimidin-4-amine (PubChem CID 2057498) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is N,N-diethyl-2,6-diphenylpyrimidin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-2,6-diphenylpyrimidin-4-amine
PubChem CID2057498
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC NameN,N-diethyl-2,6-diphenylpyrimidin-4-amine
SMILESCCN(CC)c1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H21N3/c1-3-23(4-2)19-15-18(16-11-7-5-8-12-16)21-20(22-19)17-13-9-6-10-14-17/h5-15H,3-4H2,1-2H3
InChIKeyQIJDRAYUFOYVAT-UHFFFAOYSA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-2,6-diphenylpyrimidin-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

6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine
CID 796090
4-N,4-N-diethyl-2-N-methyl-2-N,6-diphenylpyrimidine-2,4-diamine
CID 112937657
4-N,4-N-diethyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879230
4-N,4-N-diethyl-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine
CID 112879814
N,N-diethyl-2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine
CID 3323057
N-dodecyl-N-methyl-2,6-diphenylpyrimidin-4-amine
CID 59340739
N,N-diethyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880527
2-N-[(4-chlorophenyl)methyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937029
2-N-[3-(dimethylamino)propyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112936187
6-N-[4-(dimethylamino)phenyl]-4-N,4-N-diethyl-2-phenylpyrimidine-4,6-diamine
CID 112881588
6-chloro-N-ethyl-N-methyl-2-phenylpyrimidin-4-amine
CID 112559630
2-N-(3,4-difluorophenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937704

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,6-diphenylpyrimidin-4-amine?
The IUPAC name of N,N-diethyl-2,6-diphenylpyrimidin-4-amine (CID 2057498) is N,N-diethyl-2,6-diphenylpyrimidin-4-amine.
What is the SMILES notation for N,N-diethyl-2,6-diphenylpyrimidin-4-amine?
The canonical SMILES for N,N-diethyl-2,6-diphenylpyrimidin-4-amine is CCN(CC)c1cc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of N,N-diethyl-2,6-diphenylpyrimidin-4-amine?
The InChIKey is QIJDRAYUFOYVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-3-23(4-2)19-15-18(16-11-7-5-8-12-16)21-20(22-19)17-13-9-6-10-14-17/h5-15H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2,6-diphenylpyrimidin-4-amine?
N,N-diethyl-2,6-diphenylpyrimidin-4-amine has a molecular weight of 303.41 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,6-diphenylpyrimidin-4-amine is sourced from PubChem (CID 2057498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).