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

C13H11FN4O2 — CID 107669821

IUPAC4-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile
SMILESCOCc1nc(N)cc(Oc2ccc(C#N)cc2F)n1
InChIInChI=1S/C13H11FN4O2/c1-19-7-12-17-11(16)5-13(18-12)20-10-3-2-8(6-15)4-9(10)14/h2-5H,7H2,1H3,(H2,16,17,18)
InChIKeyUAXBENYCJSPAMU-UHFFFAOYSA-N
MW274.26 g/mol
LogP2.01
Rot. Bonds4

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

4-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile (PubChem CID 107669821) has the molecular formula C13H11FN4O2 and a molecular weight of 274.26 g/mol. Its IUPAC name is 4-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile
PubChem CID107669821
Molecular FormulaC13H11FN4O2
Molecular Weight274.26 g/mol
Exact Mass274.09
IUPAC Name4-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile
SMILESCOCc1nc(N)cc(Oc2ccc(C#N)cc2F)n1
InChIInChI=1S/C13H11FN4O2/c1-19-7-12-17-11(16)5-13(18-12)20-10-3-2-8(6-15)4-9(10)14/h2-5H,7H2,1H3,(H2,16,17,18)
InChIKeyUAXBENYCJSPAMU-UHFFFAOYSA-N
XLogP2.01
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile
CID 107669716
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
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-[2-methyl-6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 107669782
6-(4-bromo-2,5-dichlorophenoxy)-2-(methoxymethyl)pyrimidin-4-amine
CID 107662690
4-(4-amino-2,6-difluorophenoxy)-3-fluorobenzonitrile
CID 107670079
3-fluoro-4-(2-methoxyphenoxy)benzonitrile
CID 43657455
4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile
CID 114046415

Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile?
The IUPAC name of 4-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile (CID 107669821) is 4-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile.
What is the SMILES notation for 4-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile?
The canonical SMILES for 4-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile is COCc1nc(N)cc(Oc2ccc(C#N)cc2F)n1.
What is the InChIKey of 4-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile?
The InChIKey is UAXBENYCJSPAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O2/c1-19-7-12-17-11(16)5-13(18-12)20-10-3-2-8(6-15)4-9(10)14/h2-5H,7H2,1H3,(H2,16,17,18).
What are the key properties of 4-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile?
4-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile has a molecular weight of 274.26 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile is sourced from PubChem (CID 107669821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).