6-chloro-5-ethyl-N-[2-(2-ethylphenoxy)ethyl]pyrimidin-4-amine

C16H20ClN3O — CID 13075482

IUPAC6-chloro-5-ethyl-N-[2-(2-ethylphenoxy)ethyl]pyrimidin-4-amine
SMILESCCc1ccccc1OCCNc1ncnc(Cl)c1CC
InChIInChI=1S/C16H20ClN3O/c1-3-12-7-5-6-8-14(12)21-10-9-18-16-13(4-2)15(17)19-11-20-16/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,19,20)
InChIKeyAKLWOHAPUPMUNL-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.75
Rot. Bonds7

About 6-chloro-5-ethyl-N-[2-(2-ethylphenoxy)ethyl]pyrimidin-4-amine

6-chloro-5-ethyl-N-[2-(2-ethylphenoxy)ethyl]pyrimidin-4-amine (PubChem CID 13075482) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 6-chloro-5-ethyl-N-[2-(2-ethylphenoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-ethyl-N-[2-(2-ethylphenoxy)ethyl]pyrimidin-4-amine
PubChem CID13075482
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name6-chloro-5-ethyl-N-[2-(2-ethylphenoxy)ethyl]pyrimidin-4-amine
SMILESCCc1ccccc1OCCNc1ncnc(Cl)c1CC
InChIInChI=1S/C16H20ClN3O/c1-3-12-7-5-6-8-14(12)21-10-9-18-16-13(4-2)15(17)19-11-20-16/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,19,20)
InChIKeyAKLWOHAPUPMUNL-UHFFFAOYSA-N
XLogP3.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-5-ethyl-N-[2-(2-prop-2-enylphenoxy)ethyl]pyrimidin-4-amine
CID 13075485
6-chloro-5-ethyl-N-[(2-ethylphenyl)methyl]pyrimidin-4-amine
CID 64695768
6-chloro-5-ethyl-N-[2-(2-fluorophenyl)ethyl]pyrimidin-4-amine
CID 63728917
4-chloro-5-ethyl-6-(2-ethylphenoxy)pyrimidine
CID 55229669
2-[3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]propoxy]ethanol
CID 106311213
4-[(6-chloro-5-ethylpyrimidin-4-yl)amino]butan-2-ol
CID 64912142
2-(2-ethylphenoxy)-N-methylethanamine;hydrochloride
CID 44665206
6-chloro-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine
CID 63728744
6-chloro-N-(3-phenoxypropyl)-5-propylpyrimidin-4-amine
CID 63729687
5-bromo-6-methyl-N-[2-(2-propylphenoxy)ethyl]pyrimidin-4-amine
CID 13075408
6-N,5-diethyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine
CID 80791055
6-chloro-5-ethyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 106013674

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-N-[2-(2-ethylphenoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-ethyl-N-[2-(2-ethylphenoxy)ethyl]pyrimidin-4-amine (CID 13075482) is 6-chloro-5-ethyl-N-[2-(2-ethylphenoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-ethyl-N-[2-(2-ethylphenoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-ethyl-N-[2-(2-ethylphenoxy)ethyl]pyrimidin-4-amine is CCc1ccccc1OCCNc1ncnc(Cl)c1CC.
What is the InChIKey of 6-chloro-5-ethyl-N-[2-(2-ethylphenoxy)ethyl]pyrimidin-4-amine?
The InChIKey is AKLWOHAPUPMUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-3-12-7-5-6-8-14(12)21-10-9-18-16-13(4-2)15(17)19-11-20-16/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,19,20).
What are the key properties of 6-chloro-5-ethyl-N-[2-(2-ethylphenoxy)ethyl]pyrimidin-4-amine?
6-chloro-5-ethyl-N-[2-(2-ethylphenoxy)ethyl]pyrimidin-4-amine has a molecular weight of 305.81 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-N-[2-(2-ethylphenoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 13075482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).