6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-methoxypyrimidin-4-amine

C19H19FN6O2 — CID 90310811

IUPAC6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-methoxypyrimidin-4-amine
SMILESCOc1nc(N)cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1
InChIInChI=1S/C19H19FN6O2/c1-27-19-25-14(21)7-16(26-19)28-18-11(10-3-2-4-10)5-6-12(17(18)20)13-8-24-15(22)9-23-13/h5-10H,2-4H2,1H3,(H2,22,24)(H2,21,25,26)
InChIKeyWQCQXNXXWUCFCN-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.31
Rot. Bonds5

About 6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-methoxypyrimidin-4-amine

6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-methoxypyrimidin-4-amine (PubChem CID 90310811) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is 6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-methoxypyrimidin-4-amine
PubChem CID90310811
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC Name6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-methoxypyrimidin-4-amine
SMILESCOc1nc(N)cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1
InChIInChI=1S/C19H19FN6O2/c1-27-19-25-14(21)7-16(26-19)28-18-11(10-3-2-4-10)5-6-12(17(18)20)13-8-24-15(22)9-23-13/h5-10H,2-4H2,1H3,(H2,22,24)(H2,21,25,26)
InChIKeyWQCQXNXXWUCFCN-UHFFFAOYSA-N
XLogP3.31
TPSA122.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585
2-(2,3-Dimethylphenoxy)-4-[4-(4-Fluorophenyl)-1-(Piperidin-4-Yl)-1h-Imidazol-5-Yl]pyrimidine
CID 18536630
6-(2-Methoxyphenyl)-N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]pyrimidine-2,4-Diamine
CID 124220260
3-(3-Dimethylaminomethyl-cyclobutyl)-1-(3-benzyloxyphenyl)-imidazo[1,5-a]pyrazin-8-ylamine
CID 11604324
2-(2,5-Dimethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 18536646
5-(3-methoxyphenyl)-4-(4-(4-methyl-1H-imidazol-5-yl)piperidin-1-yl)pyrimidine
CID 20779096
1-(3-(2-Fluorobenzyloxy)phenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 44438860
1-(3-(3-Fluorobenzyloxy)phenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 44438862
1-(3-(2,3-Difluorobenzyloxy)phenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 44438883
1-(3-(2,5-Difluorobenzyloxy)phenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 44438890
1-(3-(2,6-Difluorobenzyloxy)phenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 44438892
N-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-amine
CID 46229737

Frequently Asked Questions

What is the IUPAC name of 6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-methoxypyrimidin-4-amine?
The IUPAC name of 6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-methoxypyrimidin-4-amine (CID 90310811) is 6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-methoxypyrimidin-4-amine.
What is the SMILES notation for 6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-methoxypyrimidin-4-amine?
The canonical SMILES for 6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-methoxypyrimidin-4-amine is COc1nc(N)cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1.
What is the InChIKey of 6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-methoxypyrimidin-4-amine?
The InChIKey is WQCQXNXXWUCFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O2/c1-27-19-25-14(21)7-16(26-19)28-18-11(10-3-2-4-10)5-6-12(17(18)20)13-8-24-15(22)9-23-13/h5-10H,2-4H2,1H3,(H2,22,24)(H2,21,25,26).
What are the key properties of 6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-methoxypyrimidin-4-amine?
6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-methoxypyrimidin-4-amine has a molecular weight of 382.40 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-methoxypyrimidin-4-amine is sourced from PubChem (CID 90310811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).