2-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxy-6-fluorobenzonitrile

C14H13FN4O — CID 80875391

IUPAC2-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxy-6-fluorobenzonitrile
SMILESCCNc1ncnc(Oc2cccc(F)c2C#N)c1C
InChIInChI=1S/C14H13FN4O/c1-3-17-13-9(2)14(19-8-18-13)20-12-6-4-5-11(15)10(12)7-16/h4-6,8H,3H2,1-2H3,(H,17,18,19)
InChIKeyZZZWSVWYDAWDNZ-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.02
Rot. Bonds4

About 2-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxy-6-fluorobenzonitrile

2-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxy-6-fluorobenzonitrile (PubChem CID 80875391) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxy-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxy-6-fluorobenzonitrile
PubChem CID80875391
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC Name2-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxy-6-fluorobenzonitrile
SMILESCCNc1ncnc(Oc2cccc(F)c2C#N)c1C
InChIInChI=1S/C14H13FN4O/c1-3-17-13-9(2)14(19-8-18-13)20-12-6-4-5-11(15)10(12)7-16/h4-6,8H,3H2,1-2H3,(H,17,18,19)
InChIKeyZZZWSVWYDAWDNZ-UHFFFAOYSA-N
XLogP3.02
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-amino-5-ethylpyrimidin-4-yl)oxy-6-fluorobenzonitrile
CID 80875483
4-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxybenzonitrile
CID 80869351
6-(2-bromo-4-fluorophenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80862655
6-(4-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80865200
N-ethyl-5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80879241
6-(2,5-dimethylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80864233
6-(3-bromophenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80869818
N-ethyl-6-(2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80863706
6-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80875364
N-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80870042
N-ethyl-6-(4-iodophenoxy)-5-methylpyrimidin-4-amine
CID 80881361
N-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine
CID 115503017

Frequently Asked Questions

What is the IUPAC name of 2-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxy-6-fluorobenzonitrile?
The IUPAC name of 2-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxy-6-fluorobenzonitrile (CID 80875391) is 2-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxy-6-fluorobenzonitrile.
What is the SMILES notation for 2-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxy-6-fluorobenzonitrile?
The canonical SMILES for 2-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxy-6-fluorobenzonitrile is CCNc1ncnc(Oc2cccc(F)c2C#N)c1C.
What is the InChIKey of 2-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxy-6-fluorobenzonitrile?
The InChIKey is ZZZWSVWYDAWDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c1-3-17-13-9(2)14(19-8-18-13)20-12-6-4-5-11(15)10(12)7-16/h4-6,8H,3H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxy-6-fluorobenzonitrile?
2-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxy-6-fluorobenzonitrile has a molecular weight of 272.28 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxy-6-fluorobenzonitrile is sourced from PubChem (CID 80875391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).