6-ethyl-N-[2-(3-fluorophenoxy)ethyl]-2-methylpyrimidin-4-amine

C15H18FN3O — CID 133459980

IUPAC6-ethyl-N-[2-(3-fluorophenoxy)ethyl]-2-methylpyrimidin-4-amine
SMILESCCc1cc(NCCOc2cccc(F)c2)nc(C)n1
InChIInChI=1S/C15H18FN3O/c1-3-13-10-15(19-11(2)18-13)17-7-8-20-14-6-4-5-12(16)9-14/h4-6,9-10H,3,7-8H2,1-2H3,(H,17,18,19)
InChIKeyVOLBADUNDNVSMR-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.98
Rot. Bonds6

About 6-ethyl-N-[2-(3-fluorophenoxy)ethyl]-2-methylpyrimidin-4-amine

6-ethyl-N-[2-(3-fluorophenoxy)ethyl]-2-methylpyrimidin-4-amine (PubChem CID 133459980) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 6-ethyl-N-[2-(3-fluorophenoxy)ethyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[2-(3-fluorophenoxy)ethyl]-2-methylpyrimidin-4-amine
PubChem CID133459980
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name6-ethyl-N-[2-(3-fluorophenoxy)ethyl]-2-methylpyrimidin-4-amine
SMILESCCc1cc(NCCOc2cccc(F)c2)nc(C)n1
InChIInChI=1S/C15H18FN3O/c1-3-13-10-15(19-11(2)18-13)17-7-8-20-14-6-4-5-12(16)9-14/h4-6,9-10H,3,7-8H2,1-2H3,(H,17,18,19)
InChIKeyVOLBADUNDNVSMR-UHFFFAOYSA-N
XLogP2.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.98
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-ethyl-2-methyl-N-(2-phenoxyethyl)pyrimidin-4-amine
CID 65417794
6-ethyl-N-[2-(3-fluorophenoxy)propyl]-2-methylpyrimidin-4-amine
CID 133461305
6-ethyl-2-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 65418225
6-ethyl-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 65416274
N,6-diethyl-2-methylpyrimidin-4-amine
CID 62191281
6-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112869510
1-(3,3-dimethylbutoxy)-3-fluorobenzene
CID 59667496
N-[2-(3,4-dimethylphenoxy)ethyl]-3-fluoroaniline
CID 62571045
4-N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112875821
6-N-ethyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine
CID 80791546
N-[(4-tert-butylphenyl)methyl]-2-(3-fluorophenoxy)ethanamine
CID 39425418
2-N-methyl-6-N-[2-(3-methylphenoxy)ethyl]pyridine-2,6-diamine
CID 80815231

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[2-(3-fluorophenoxy)ethyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[2-(3-fluorophenoxy)ethyl]-2-methylpyrimidin-4-amine (CID 133459980) is 6-ethyl-N-[2-(3-fluorophenoxy)ethyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[2-(3-fluorophenoxy)ethyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[2-(3-fluorophenoxy)ethyl]-2-methylpyrimidin-4-amine is CCc1cc(NCCOc2cccc(F)c2)nc(C)n1.
What is the InChIKey of 6-ethyl-N-[2-(3-fluorophenoxy)ethyl]-2-methylpyrimidin-4-amine?
The InChIKey is VOLBADUNDNVSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-3-13-10-15(19-11(2)18-13)17-7-8-20-14-6-4-5-12(16)9-14/h4-6,9-10H,3,7-8H2,1-2H3,(H,17,18,19).
What are the key properties of 6-ethyl-N-[2-(3-fluorophenoxy)ethyl]-2-methylpyrimidin-4-amine?
6-ethyl-N-[2-(3-fluorophenoxy)ethyl]-2-methylpyrimidin-4-amine has a molecular weight of 275.33 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[2-(3-fluorophenoxy)ethyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 133459980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).