4-N-[1-(3-chlorophenyl)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine

C16H21ClN4 — CID 80809297

IUPAC4-N-[1-(3-chlorophenyl)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(N(C)C(C)c2cccc(Cl)c2)c1C
InChIInChI=1S/C16H21ClN4/c1-5-18-15-11(2)16(20-10-19-15)21(4)12(3)13-7-6-8-14(17)9-13/h6-10,12H,5H2,1-4H3,(H,18,19,20)
InChIKeyGFXWKNZQDHIEBP-UHFFFAOYSA-N
MW304.83 g/mol
LogP4.07
Rot. Bonds5

About 4-N-[1-(3-chlorophenyl)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine

4-N-[1-(3-chlorophenyl)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80809297) has the molecular formula C16H21ClN4 and a molecular weight of 304.83 g/mol. Its IUPAC name is 4-N-[1-(3-chlorophenyl)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(3-chlorophenyl)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80809297
Molecular FormulaC16H21ClN4
Molecular Weight304.83 g/mol
Exact Mass304.15
IUPAC Name4-N-[1-(3-chlorophenyl)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(N(C)C(C)c2cccc(Cl)c2)c1C
InChIInChI=1S/C16H21ClN4/c1-5-18-15-11(2)16(20-10-19-15)21(4)12(3)13-7-6-8-14(17)9-13/h6-10,12H,5H2,1-4H3,(H,18,19,20)
InChIKeyGFXWKNZQDHIEBP-UHFFFAOYSA-N
XLogP4.07
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.83
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-[1-(3-chlorophenyl)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine 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

4-N-[1-(3-chlorophenyl)ethyl]-2-N-ethyl-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 80809659
6-N-ethyl-4-N,5-dimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine
CID 80792480
3-bromo-N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyridin-2-amine
CID 105367908
5-chloro-4-N-[1-(3-chlorophenyl)ethyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80823025
2-[[6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]ethanol
CID 80771507
4-N-[1-(3-chlorophenyl)ethyl]-1-N-ethyl-4-N-methylpentane-1,4-diamine
CID 62984747
4-N-[2-(dimethylamino)propyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80819158
4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80834597
4-N,5-dimethyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80792963
1-N-[1-(3-chlorophenyl)ethyl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66452152
(1S)-1-[5-[1-(3-chlorophenyl)ethyl-methylamino]-2-pyridinyl]propan-1-ol
CID 103938724
1-[5-[1-(3-chlorophenyl)ethyl-methylamino]-2-pyridinyl]propan-1-ol
CID 115940456

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(3-chlorophenyl)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(3-chlorophenyl)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine (CID 80809297) is 4-N-[1-(3-chlorophenyl)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(3-chlorophenyl)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(3-chlorophenyl)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine is CCNc1ncnc(N(C)C(C)c2cccc(Cl)c2)c1C.
What is the InChIKey of 4-N-[1-(3-chlorophenyl)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is GFXWKNZQDHIEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4/c1-5-18-15-11(2)16(20-10-19-15)21(4)12(3)13-7-6-8-14(17)9-13/h6-10,12H,5H2,1-4H3,(H,18,19,20).
What are the key properties of 4-N-[1-(3-chlorophenyl)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine?
4-N-[1-(3-chlorophenyl)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 304.83 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(3-chlorophenyl)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80809297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).