4-(6-amino-2-tert-butylpyrimidin-4-yl)oxy-2-fluorobenzonitrile

C15H15FN4O — CID 80962880

IUPAC4-(6-amino-2-tert-butylpyrimidin-4-yl)oxy-2-fluorobenzonitrile
SMILESCC(C)(C)c1nc(N)cc(Oc2ccc(C#N)c(F)c2)n1
InChIInChI=1S/C15H15FN4O/c1-15(2,3)14-19-12(18)7-13(20-14)21-10-5-4-9(8-17)11(16)6-10/h4-7H,1-3H3,(H2,18,19,20)
InChIKeyJZFJQIFRSFQVDY-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.16
Rot. Bonds2

About 4-(6-amino-2-tert-butylpyrimidin-4-yl)oxy-2-fluorobenzonitrile

4-(6-amino-2-tert-butylpyrimidin-4-yl)oxy-2-fluorobenzonitrile (PubChem CID 80962880) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 4-(6-amino-2-tert-butylpyrimidin-4-yl)oxy-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-(6-amino-2-tert-butylpyrimidin-4-yl)oxy-2-fluorobenzonitrile
PubChem CID80962880
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name4-(6-amino-2-tert-butylpyrimidin-4-yl)oxy-2-fluorobenzonitrile
SMILESCC(C)(C)c1nc(N)cc(Oc2ccc(C#N)c(F)c2)n1
InChIInChI=1S/C15H15FN4O/c1-15(2,3)14-19-12(18)7-13(20-14)21-10-5-4-9(8-17)11(16)6-10/h4-7H,1-3H3,(H2,18,19,20)
InChIKeyJZFJQIFRSFQVDY-UHFFFAOYSA-N
XLogP3.16
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-fluoro-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 107171778
4-(6-chloro-2-ethylpyrimidin-4-yl)oxy-2-fluorobenzonitrile
CID 80944458
6-amino-2-tert-butylpyrimidine-4-carbonitrile
CID 116862608
2-fluoro-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80883406
4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-2-fluorobenzonitrile
CID 102761068
2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidine
CID 107169197
4-[(5-amino-3-pyridinyl)oxy]-2-fluorobenzonitrile
CID 104536926
4-[(3-amino-6-chloro-2-pyridinyl)oxy]-2-fluorobenzonitrile
CID 113317073
2-fluoro-4-[2-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80883299
2-tert-butyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine
CID 116794520
2-tert-butyl-6-(2-methoxyphenoxy)pyrimidin-4-amine
CID 80965893
4-(2-amino-3-methylphenoxy)-2-fluorobenzonitrile
CID 114041417

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-2-tert-butylpyrimidin-4-yl)oxy-2-fluorobenzonitrile?
The IUPAC name of 4-(6-amino-2-tert-butylpyrimidin-4-yl)oxy-2-fluorobenzonitrile (CID 80962880) is 4-(6-amino-2-tert-butylpyrimidin-4-yl)oxy-2-fluorobenzonitrile.
What is the SMILES notation for 4-(6-amino-2-tert-butylpyrimidin-4-yl)oxy-2-fluorobenzonitrile?
The canonical SMILES for 4-(6-amino-2-tert-butylpyrimidin-4-yl)oxy-2-fluorobenzonitrile is CC(C)(C)c1nc(N)cc(Oc2ccc(C#N)c(F)c2)n1.
What is the InChIKey of 4-(6-amino-2-tert-butylpyrimidin-4-yl)oxy-2-fluorobenzonitrile?
The InChIKey is JZFJQIFRSFQVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c1-15(2,3)14-19-12(18)7-13(20-14)21-10-5-4-9(8-17)11(16)6-10/h4-7H,1-3H3,(H2,18,19,20).
What are the key properties of 4-(6-amino-2-tert-butylpyrimidin-4-yl)oxy-2-fluorobenzonitrile?
4-(6-amino-2-tert-butylpyrimidin-4-yl)oxy-2-fluorobenzonitrile has a molecular weight of 286.31 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-2-tert-butylpyrimidin-4-yl)oxy-2-fluorobenzonitrile is sourced from PubChem (CID 80962880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).