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

C14H13FN4O — CID 80875389

IUPAC2-fluoro-6-[2-(propylamino)pyrimidin-4-yl]oxybenzonitrile
SMILESCCCNc1nccc(Oc2cccc(F)c2C#N)n1
InChIInChI=1S/C14H13FN4O/c1-2-7-17-14-18-8-6-13(19-14)20-12-5-3-4-11(15)10(12)9-16/h3-6,8H,2,7H2,1H3,(H,17,18,19)
InChIKeyPFGKZPCCPPBNSK-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.10
Rot. Bonds5

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

2-fluoro-6-[2-(propylamino)pyrimidin-4-yl]oxybenzonitrile (PubChem CID 80875389) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-fluoro-6-[2-(propylamino)pyrimidin-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[2-(propylamino)pyrimidin-4-yl]oxybenzonitrile
PubChem CID80875389
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC Name2-fluoro-6-[2-(propylamino)pyrimidin-4-yl]oxybenzonitrile
SMILESCCCNc1nccc(Oc2cccc(F)c2C#N)n1
InChIInChI=1S/C14H13FN4O/c1-2-7-17-14-18-8-6-13(19-14)20-12-5-3-4-11(15)10(12)9-16/h3-6,8H,2,7H2,1H3,(H,17,18,19)
InChIKeyPFGKZPCCPPBNSK-UHFFFAOYSA-N
XLogP3.10
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-chloro-2-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 116691319
2-fluoro-4-[2-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80883299
4-(2,3-difluorophenoxy)-N-ethylpyrimidin-2-amine
CID 80880330
4-(5-bromo-2-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 114677390
2-fluoro-6-[[5-(propylamino)-3-pyridinyl]oxy]benzonitrile
CID 104536574
4-(3,4-difluorophenoxy)-N-propylpyrimidin-2-amine
CID 80875190
2-fluoro-6-[(6-fluoro-2-pyridinyl)oxy]benzonitrile
CID 61229937
2-fluoro-6-[[6-(methylamino)-2-pyridinyl]oxy]benzonitrile
CID 80873989
4-(2-nitrophenoxy)-N-propylpyrimidin-2-amine
CID 80875415
4-(2-bromo-4-chlorophenoxy)-N-propylpyrimidin-2-amine
CID 80881715
4-(3-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881871
4-(4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80862544

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[2-(propylamino)pyrimidin-4-yl]oxybenzonitrile?
The IUPAC name of 2-fluoro-6-[2-(propylamino)pyrimidin-4-yl]oxybenzonitrile (CID 80875389) is 2-fluoro-6-[2-(propylamino)pyrimidin-4-yl]oxybenzonitrile.
What is the SMILES notation for 2-fluoro-6-[2-(propylamino)pyrimidin-4-yl]oxybenzonitrile?
The canonical SMILES for 2-fluoro-6-[2-(propylamino)pyrimidin-4-yl]oxybenzonitrile is CCCNc1nccc(Oc2cccc(F)c2C#N)n1.
What is the InChIKey of 2-fluoro-6-[2-(propylamino)pyrimidin-4-yl]oxybenzonitrile?
The InChIKey is PFGKZPCCPPBNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c1-2-7-17-14-18-8-6-13(19-14)20-12-5-3-4-11(15)10(12)9-16/h3-6,8H,2,7H2,1H3,(H,17,18,19).
What are the key properties of 2-fluoro-6-[2-(propylamino)pyrimidin-4-yl]oxybenzonitrile?
2-fluoro-6-[2-(propylamino)pyrimidin-4-yl]oxybenzonitrile has a molecular weight of 272.28 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[2-(propylamino)pyrimidin-4-yl]oxybenzonitrile is sourced from PubChem (CID 80875389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).