3-fluoro-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]oxybenzonitrile

C15H15FN4O — CID 107669782

IUPAC3-fluoro-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
SMILESCCCNc1cc(Oc2ccc(C#N)cc2F)nc(C)n1
InChIInChI=1S/C15H15FN4O/c1-3-6-18-14-8-15(20-10(2)19-14)21-13-5-4-11(9-17)7-12(13)16/h4-5,7-8H,3,6H2,1-2H3,(H,18,19,20)
InChIKeyQRSDMJRXCGVXOQ-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.41
Rot. Bonds5

About 3-fluoro-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]oxybenzonitrile

3-fluoro-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]oxybenzonitrile (PubChem CID 107669782) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 3-fluoro-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
PubChem CID107669782
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name3-fluoro-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
SMILESCCCNc1cc(Oc2ccc(C#N)cc2F)nc(C)n1
InChIInChI=1S/C15H15FN4O/c1-3-6-18-14-8-15(20-10(2)19-14)21-13-5-4-11(9-17)7-12(13)16/h4-5,7-8H,3,6H2,1-2H3,(H,18,19,20)
InChIKeyQRSDMJRXCGVXOQ-UHFFFAOYSA-N
XLogP3.41
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-bromo-4-fluorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80863475
6-(2-bromo-4-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80881961
2-methyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine
CID 80869254
6-(2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80864444
6-(4-bromo-2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80881920
2-methyl-N-propyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine
CID 80874964
4-(6-chloro-2-ethylpyrimidin-4-yl)oxy-3-fluorobenzonitrile
CID 107664678
4-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile
CID 107669716
3-methoxy-4-[6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80866910
4-[(5-amino-6-ethoxy-2-pyridinyl)oxy]-3-fluorobenzonitrile
CID 107670102
4-N-(3-fluoro-4-methoxyphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80771186
2-methyl-6-propoxy-N-propylpyrimidin-4-amine
CID 80866216

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]oxybenzonitrile?
The IUPAC name of 3-fluoro-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]oxybenzonitrile (CID 107669782) is 3-fluoro-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]oxybenzonitrile.
What is the SMILES notation for 3-fluoro-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]oxybenzonitrile?
The canonical SMILES for 3-fluoro-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]oxybenzonitrile is CCCNc1cc(Oc2ccc(C#N)cc2F)nc(C)n1.
What is the InChIKey of 3-fluoro-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]oxybenzonitrile?
The InChIKey is QRSDMJRXCGVXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c1-3-6-18-14-8-15(20-10(2)19-14)21-13-5-4-11(9-17)7-12(13)16/h4-5,7-8H,3,6H2,1-2H3,(H,18,19,20).
What are the key properties of 3-fluoro-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]oxybenzonitrile?
3-fluoro-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]oxybenzonitrile has a molecular weight of 286.31 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]oxybenzonitrile is sourced from PubChem (CID 107669782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).