6-chloro-5-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine

C16H20ClN3 — CID 106193524

IUPAC6-chloro-5-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine
SMILESCCc1ccc(C(C)Nc2ncnc(Cl)c2CC)cc1
InChIInChI=1S/C16H20ClN3/c1-4-12-6-8-13(9-7-12)11(3)20-16-14(5-2)15(17)18-10-19-16/h6-11H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyWSCCNZUSDKVBDI-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.43
Rot. Bonds5

About 6-chloro-5-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine

6-chloro-5-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine (PubChem CID 106193524) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 6-chloro-5-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine
PubChem CID106193524
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name6-chloro-5-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine
SMILESCCc1ccc(C(C)Nc2ncnc(Cl)c2CC)cc1
InChIInChI=1S/C16H20ClN3/c1-4-12-6-8-13(9-7-12)11(3)20-16-14(5-2)15(17)18-10-19-16/h6-11H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyWSCCNZUSDKVBDI-UHFFFAOYSA-N
XLogP4.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-5-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-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-[1-(4-ethylphenyl)ethyl]-5-propylpyrimidin-4-amine
CID 106193555
4-N-[1-(4-chlorophenyl)ethyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80802117
3-chloro-N-[1-(4-ethylphenyl)ethyl]pyridin-2-amine
CID 60701697
N-[1-(4-ethylphenyl)ethyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 66327874
N-[1-(4-ethylphenyl)ethyl]-5-iodopyrimidin-4-amine
CID 66342777
4-N-[1-(4-bromophenyl)ethyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80801411
6-chloro-N-[1-(4-ethylphenyl)ethyl]-2,5-dimethylpyrimidin-4-amine
CID 106193534
6-chloro-5-ethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 106389511
6-chloro-5-ethyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine
CID 63729500
6-chloro-N-[1-(3-fluorophenyl)ethyl]-5-propylpyrimidin-4-amine
CID 63730152
4-[(6-chloro-5-ethylpyrimidin-4-yl)amino]butan-2-ol
CID 64912142
6-chloro-N-[1-(4-chlorophenyl)ethyl]-5-propan-2-ylpyrimidin-4-amine
CID 63728979

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine (CID 106193524) is 6-chloro-5-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine is CCc1ccc(C(C)Nc2ncnc(Cl)c2CC)cc1.
What is the InChIKey of 6-chloro-5-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine?
The InChIKey is WSCCNZUSDKVBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-4-12-6-8-13(9-7-12)11(3)20-16-14(5-2)15(17)18-10-19-16/h6-11H,4-5H2,1-3H3,(H,18,19,20).
What are the key properties of 6-chloro-5-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine?
6-chloro-5-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine has a molecular weight of 289.81 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106193524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).