5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyrazin-2-amine

C18H16FN5O — CID 77050696

IUPAC5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyrazin-2-amine
SMILESNc1cnc(-c2ccc(C3CCC3)c(Oc3ncccn3)c2F)cn1
InChIInChI=1S/C18H16FN5O/c19-16-13(14-9-24-15(20)10-23-14)6-5-12(11-3-1-4-11)17(16)25-18-21-7-2-8-22-18/h2,5-11H,1,3-4H2,(H2,20,24)
InChIKeyGKYUMEDTWYFCGN-UHFFFAOYSA-N
MW337.36 g/mol
LogP3.71
Rot. Bonds4

About 5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyrazin-2-amine

5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyrazin-2-amine (PubChem CID 77050696) has the molecular formula C18H16FN5O and a molecular weight of 337.36 g/mol. Its IUPAC name is 5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyrazin-2-amine
PubChem CID77050696
Molecular FormulaC18H16FN5O
Molecular Weight337.36 g/mol
Exact Mass337.13
IUPAC Name5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyrazin-2-amine
SMILESNc1cnc(-c2ccc(C3CCC3)c(Oc3ncccn3)c2F)cn1
InChIInChI=1S/C18H16FN5O/c19-16-13(14-9-24-15(20)10-23-14)6-5-12(11-3-1-4-11)17(16)25-18-21-7-2-8-22-18/h2,5-11H,1,3-4H2,(H2,20,24)
InChIKeyGKYUMEDTWYFCGN-UHFFFAOYSA-N
XLogP3.71
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-Ethyl-5-{3-[3-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149550
(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585
6-Ethyl-5-[3-(3-methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]pyrimidine-2,4-diamine
CID 71525312
5-[3-(3-Methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]-6-methylpyrimidine-2,4-diamine
CID 71560291
2-Phenoxy-4-[1-(piperidine-4-yl)-4-(4-fluorophenyl)-5-imidazolyl]pyrimidine
CID 15872388
2-(2,3-Dimethylphenoxy)-4-[4-(4-Fluorophenyl)-1-(Piperidin-4-Yl)-1h-Imidazol-5-Yl]pyrimidine
CID 18536630
6-Ethyl-5-{(3r)-3-[3-Methoxy-5-(Pyridin-4-Yl)phenyl]but-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 56955942
6-(2-Methoxyphenyl)-N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]pyrimidine-2,4-Diamine
CID 124220260
2-[3-(Trifluoromethyl)phenoxy]-4-[1-(piperidine-4-yl)-4-(4-fluorophenyl)-5-imidazolyl]pyrimidine
CID 15872407
2-(2,6-Dimethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 15887011
4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-2-o-tolyloxy-pyrimidine
CID 15887012
2-(3,5-Dimethylphenoxy)-4-[1-(piperidine-4-yl)-4-(4-fluorophenyl)-5-imidazolyl]pyrimidine
CID 18536633

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyrazin-2-amine?
The IUPAC name of 5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyrazin-2-amine (CID 77050696) is 5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyrazin-2-amine.
What is the SMILES notation for 5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyrazin-2-amine?
The canonical SMILES for 5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyrazin-2-amine is Nc1cnc(-c2ccc(C3CCC3)c(Oc3ncccn3)c2F)cn1.
What is the InChIKey of 5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyrazin-2-amine?
The InChIKey is GKYUMEDTWYFCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O/c19-16-13(14-9-24-15(20)10-23-14)6-5-12(11-3-1-4-11)17(16)25-18-21-7-2-8-22-18/h2,5-11H,1,3-4H2,(H2,20,24).
What are the key properties of 5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyrazin-2-amine?
5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyrazin-2-amine has a molecular weight of 337.36 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyrazin-2-amine is sourced from PubChem (CID 77050696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).