4-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile

C14H13FN4O2 — CID 107669716

IUPAC4-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile
SMILESCCOCc1nc(N)cc(Oc2ccc(C#N)cc2F)n1
InChIInChI=1S/C14H13FN4O2/c1-2-20-8-13-18-12(17)6-14(19-13)21-11-4-3-9(7-16)5-10(11)15/h3-6H,2,8H2,1H3,(H2,17,18,19)
InChIKeyWQKOCUWJQQOBMR-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.40
Rot. Bonds5

About 4-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile

4-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile (PubChem CID 107669716) has the molecular formula C14H13FN4O2 and a molecular weight of 288.28 g/mol. Its IUPAC name is 4-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile
PubChem CID107669716
Molecular FormulaC14H13FN4O2
Molecular Weight288.28 g/mol
Exact Mass288.10
IUPAC Name4-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile
SMILESCCOCc1nc(N)cc(Oc2ccc(C#N)cc2F)n1
InChIInChI=1S/C14H13FN4O2/c1-2-20-8-13-18-12(17)6-14(19-13)21-11-4-3-9(7-16)5-10(11)15/h3-6H,2,8H2,1H3,(H2,17,18,19)
InChIKeyWQKOCUWJQQOBMR-UHFFFAOYSA-N
XLogP2.40
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile
CID 107669821
4-(6-chloro-2-ethylpyrimidin-4-yl)oxy-3-fluorobenzonitrile
CID 107664678
4-[(5-amino-6-ethoxy-2-pyridinyl)oxy]-3-fluorobenzonitrile
CID 107670102
3-(6-amino-2-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107662566
3-fluoro-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 107669782
4-[2-(1-aminopropyl)phenoxy]-3-fluorobenzonitrile
CID 107665508
2-(4-cyano-2-fluorophenoxy)pyridine-4-carbonitrile
CID 107664811
2-(4-amino-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile
CID 114769789
4-(3-aminoquinoxalin-2-yl)oxy-3-fluorobenzonitrile
CID 107669541
3-fluoro-4-(6-hydrazinylpyrimidin-4-yl)oxybenzonitrile
CID 107669861
4-(4-amino-2,6-difluorophenoxy)-3-fluorobenzonitrile
CID 107670079
4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)oxy-3-fluorobenzonitrile
CID 107670120

Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile?
The IUPAC name of 4-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile (CID 107669716) is 4-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile.
What is the SMILES notation for 4-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile?
The canonical SMILES for 4-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile is CCOCc1nc(N)cc(Oc2ccc(C#N)cc2F)n1.
What is the InChIKey of 4-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile?
The InChIKey is WQKOCUWJQQOBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2/c1-2-20-8-13-18-12(17)6-14(19-13)21-11-4-3-9(7-16)5-10(11)15/h3-6H,2,8H2,1H3,(H2,17,18,19).
What are the key properties of 4-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile?
4-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile has a molecular weight of 288.28 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile is sourced from PubChem (CID 107669716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).