6-chloro-N-[1-(4-ethylphenyl)ethyl]-2,5-dimethylpyrimidin-4-amine

C16H20ClN3 — CID 106193534

IUPAC6-chloro-N-[1-(4-ethylphenyl)ethyl]-2,5-dimethylpyrimidin-4-amine
SMILESCCc1ccc(C(C)Nc2nc(C)nc(Cl)c2C)cc1
InChIInChI=1S/C16H20ClN3/c1-5-13-6-8-14(9-7-13)11(3)18-16-10(2)15(17)19-12(4)20-16/h6-9,11H,5H2,1-4H3,(H,18,19,20)
InChIKeyRUDAPAHXEZNJSJ-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.48
Rot. Bonds4

About 6-chloro-N-[1-(4-ethylphenyl)ethyl]-2,5-dimethylpyrimidin-4-amine

6-chloro-N-[1-(4-ethylphenyl)ethyl]-2,5-dimethylpyrimidin-4-amine (PubChem CID 106193534) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 6-chloro-N-[1-(4-ethylphenyl)ethyl]-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(4-ethylphenyl)ethyl]-2,5-dimethylpyrimidin-4-amine
PubChem CID106193534
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name6-chloro-N-[1-(4-ethylphenyl)ethyl]-2,5-dimethylpyrimidin-4-amine
SMILESCCc1ccc(C(C)Nc2nc(C)nc(Cl)c2C)cc1
InChIInChI=1S/C16H20ClN3/c1-5-13-6-8-14(9-7-13)11(3)18-16-10(2)15(17)19-12(4)20-16/h6-9,11H,5H2,1-4H3,(H,18,19,20)
InChIKeyRUDAPAHXEZNJSJ-UHFFFAOYSA-N
XLogP4.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(4-ethylphenyl)ethyl]-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[1-(4-ethylphenyl)ethyl]-2,5-dimethylpyrimidin-4-amine (CID 106193534) is 6-chloro-N-[1-(4-ethylphenyl)ethyl]-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[1-(4-ethylphenyl)ethyl]-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[1-(4-ethylphenyl)ethyl]-2,5-dimethylpyrimidin-4-amine is CCc1ccc(C(C)Nc2nc(C)nc(Cl)c2C)cc1.
What is the InChIKey of 6-chloro-N-[1-(4-ethylphenyl)ethyl]-2,5-dimethylpyrimidin-4-amine?
The InChIKey is RUDAPAHXEZNJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-5-13-6-8-14(9-7-13)11(3)18-16-10(2)15(17)19-12(4)20-16/h6-9,11H,5H2,1-4H3,(H,18,19,20).
What are the key properties of 6-chloro-N-[1-(4-ethylphenyl)ethyl]-2,5-dimethylpyrimidin-4-amine?
6-chloro-N-[1-(4-ethylphenyl)ethyl]-2,5-dimethylpyrimidin-4-amine has a molecular weight of 289.81 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(4-ethylphenyl)ethyl]-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 106193534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).