N-[1-(4-ethylphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine

C16H21N3 — CID 60732152

IUPACN-[1-(4-ethylphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
SMILESCCc1ccc(C(C)Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C16H21N3/c1-5-14-6-8-15(9-7-14)13(4)19-16-17-11(2)10-12(3)18-16/h6-10,13H,5H2,1-4H3,(H,17,18,19)
InChIKeyDSJUPJSLBPCHRC-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.83
Rot. Bonds4

About N-[1-(4-ethylphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine

N-[1-(4-ethylphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 60732152) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
PubChem CID60732152
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
SMILESCCc1ccc(C(C)Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C16H21N3/c1-5-14-6-8-15(9-7-14)13(4)19-16-17-11(2)10-12(3)18-16/h6-10,13H,5H2,1-4H3,(H,17,18,19)
InChIKeyDSJUPJSLBPCHRC-UHFFFAOYSA-N
XLogP3.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-ethylphenyl)ethyl]-4,6-dimethylpyrimidin-2-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

N-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 60726849
4,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine
CID 94006047
N-[1-(4-ethylphenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326076
6-ethoxy-N-[1-(4-ethylphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 66326077
N-[1-(4-ethylphenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 60933440
N-[1-(4-ethylphenyl)ethyl]aniline
CID 43190038
N-[1-(4-ethylphenyl)ethyl]-3,5-difluoroaniline
CID 43108323
6-chloro-N-[1-(4-ethylphenyl)ethyl]-2,5-dimethylpyrimidin-4-amine
CID 106193534
6-bromo-2-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine
CID 106193537
N-[1-(4-ethylphenyl)ethyl]-3-fluoro-5-methylaniline
CID 79054943
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
N-[1-(4-ethylphenyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine
CID 43110726

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine (CID 60732152) is N-[1-(4-ethylphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine is CCc1ccc(C(C)Nc2nc(C)cc(C)n2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is DSJUPJSLBPCHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-5-14-6-8-15(9-7-14)13(4)19-16-17-11(2)10-12(3)18-16/h6-10,13H,5H2,1-4H3,(H,17,18,19).
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine?
N-[1-(4-ethylphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 255.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 60732152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).