N-ethyl-4-(2-fluoro-3-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine

C13H15FN4O2 — CID 82812218

IUPACN-ethyl-4-(2-fluoro-3-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(-c2cccc(OC)c2F)n1
InChIInChI=1S/C13H15FN4O2/c1-4-15-12-16-11(17-13(18-12)20-3)8-6-5-7-9(19-2)10(8)14/h5-7H,4H2,1-3H3,(H,15,16,17,18)
InChIKeyFQIMJBKCFKMECI-UHFFFAOYSA-N
MW278.29 g/mol
LogP2.13
Rot. Bonds5

About N-ethyl-4-(2-fluoro-3-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine

N-ethyl-4-(2-fluoro-3-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 82812218) has the molecular formula C13H15FN4O2 and a molecular weight of 278.29 g/mol. Its IUPAC name is N-ethyl-4-(2-fluoro-3-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-fluoro-3-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine
PubChem CID82812218
Molecular FormulaC13H15FN4O2
Molecular Weight278.29 g/mol
Exact Mass278.12
IUPAC NameN-ethyl-4-(2-fluoro-3-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(-c2cccc(OC)c2F)n1
InChIInChI=1S/C13H15FN4O2/c1-4-15-12-16-11(17-13(18-12)20-3)8-6-5-7-9(19-2)10(8)14/h5-7H,4H2,1-3H3,(H,15,16,17,18)
InChIKeyFQIMJBKCFKMECI-UHFFFAOYSA-N
XLogP2.13
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-4-methoxy-6-(2-propoxyphenyl)-1,3,5-triazin-2-amine
CID 104663162
4-ethoxy-6-(2-fluoro-3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine
CID 82812014
N-ethyl-4-(2-fluoro-3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 82792824
N-ethyl-5-(2-fluoro-3-methoxyphenyl)pyrazin-2-amine
CID 112754900
N-ethyl-6-(2-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 82812222
4-N-ethyl-2-N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80773421
4-(2,4-difluorophenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80893899
4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80768361
N-ethyl-6-(2-fluoro-3-methoxyphenyl)-5-propylpyrimidin-4-amine
CID 82793042
4-(5-bromo-2-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 79743156
N-ethyl-4-methoxy-6-[(2-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine
CID 80882368
2-[2-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-6-methoxyphenyl]propan-2-ol
CID 118986975

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-fluoro-3-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-(2-fluoro-3-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine (CID 82812218) is N-ethyl-4-(2-fluoro-3-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-(2-fluoro-3-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-(2-fluoro-3-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine is CCNc1nc(OC)nc(-c2cccc(OC)c2F)n1.
What is the InChIKey of N-ethyl-4-(2-fluoro-3-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is FQIMJBKCFKMECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2/c1-4-15-12-16-11(17-13(18-12)20-3)8-6-5-7-9(19-2)10(8)14/h5-7H,4H2,1-3H3,(H,15,16,17,18).
What are the key properties of N-ethyl-4-(2-fluoro-3-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine?
N-ethyl-4-(2-fluoro-3-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 278.29 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-fluoro-3-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 82812218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).